1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine

C165H244N10O11 — CID 159236702

IUPAC1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine
SMILESCC(C)(C)C1=CC=CC1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc([N+](=O)[O-])c1.CC(C)(C)c1ccco1.CCN(CC)CCCOc1ccc(C(C)(C)C)cc1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3O.C17H28N2O.C17H29NO.C16H18.C15H23NO.C15H25NO.C14H21NO.C11H16O.C10H13NO2.C10H14O.C9H14.C8H12O/c1-23(2,3)20-6-5-7-21(16-20)24-22(27)19-10-8-18(9-11-19)17-26-14-12-25(4)13-15-26;1-17(2,3)15-5-7-16(8-6-15)20-14-13-19-11-9-18(4)10-12-19;1-6-18(7-2)13-8-14-19-16-11-9-15(10-12-16)17(3,4)5;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(7-8)11(12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-9-7/h5-11,16H,12-15,17H2,1-4H3,(H,24,27);5-8H,9-14H2,1-4H3;9-12H,6-8,13-14H2,1-5H3;4-12H,1-3H3;4-7H,8-12H2,1-3H3;7-10H,6,11-12H2,1-5H3;4-7H,8-11H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-7,11H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3
InChIKeyKTOKMUWARSGMBX-UHFFFAOYSA-N
MW2543.83 g/mol
LogP38.36
Rot. Bonds26

About 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine

1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine (PubChem CID 159236702) has the molecular formula C165H244N10O11 and a molecular weight of 2543.83 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine.

Molecular Properties

Compound Name1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine
PubChem CID159236702
Molecular FormulaC165H244N10O11
Molecular Weight2543.83 g/mol
Exact Mass2541.88
IUPAC Name1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine
SMILESCC(C)(C)C1=CC=CC1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc([N+](=O)[O-])c1.CC(C)(C)c1ccco1.CCN(CC)CCCOc1ccc(C(C)(C)C)cc1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31N3O.C17H28N2O.C17H29NO.C16H18.C15H23NO.C15H25NO.C14H21NO.C11H16O.C10H13NO2.C10H14O.C9H14.C8H12O/c1-23(2,3)20-6-5-7-21(16-20)24-22(27)19-10-8-18(9-11-19)17-26-14-12-25(4)13-15-26;1-17(2,3)15-5-7-16(8-6-15)20-14-13-19-11-9-18(4)10-12-19;1-6-18(7-2)13-8-14-19-16-11-9-15(10-12-16)17(3,4)5;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(7-8)11(12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-9-7/h5-11,16H,12-15,17H2,1-4H3,(H,24,27);5-8H,9-14H2,1-4H3;9-12H,6-8,13-14H2,1-5H3;4-12H,1-3H3;4-7H,8-12H2,1-3H3;7-10H,6,11-12H2,1-5H3;4-7H,8-11H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-7,11H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3
InChIKeyKTOKMUWARSGMBX-UHFFFAOYSA-N
XLogP38.36
TPSA186.91 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002543.83
LogP ≤ 538.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine
CID 159319470
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
N-[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]benzamide
CID 176904793
N-[3-[2-[(4-methoxyphenyl)methylamino]-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]phenyl]benzamide
CID 66800658
4-[4-[[2-ethyl-4-(3-hydroxyphenyl)phenyl]methyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169272121
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
1-tert-butyl-4-(2-methoxyethoxy)benzene;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]piperidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;1-[3-(4-tert-butylphenoxy)propyl]triazole;1-(4-tert-butylphenyl)-4-methylpiperazine;4-(4-tert-butylphenyl)morpholine;3-(4-tert-butylphenyl)pyridine;4-(4-tert-butylphenyl)pyridine;1-(4-tert-butylphenyl)pyrrole
CID 159397303
4-[(4-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 27165112
1-[(4-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine;oxalic acid
CID 17367131
5-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine?
The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine (CID 159236702) is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine.
What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine?
The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine is CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1cccc([N+](=O)[O-])c1.CC(C)(C)c1ccco1.CCN(CC)CCCOc1ccc(C(C)(C)C)cc1.CN(C)CCCOc1ccc(C(C)(C)C)cc1.CN1CCN(CCOc2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1.COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine?
The InChIKey is KTOKMUWARSGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.C17H28N2O.C17H29NO.C16H18.C15H23NO.C15H25NO.C14H21NO.C11H16O.C10H13NO2.C10H14O.C9H14.C8H12O/c1-23(2,3)20-6-5-7-21(16-20)24-22(27)19-10-8-18(9-11-19)17-26-14-12-25(4)13-15-26;1-17(2,3)15-5-7-16(8-6-15)20-14-13-19-11-9-18(4)10-12-19;1-6-18(7-2)13-8-14-19-16-11-9-15(10-12-16)17(3,4)5;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-15(2,3)13-7-9-14(10-8-13)17-12-6-11-16(4)5;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(7-8)11(12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-5-4-6-9-7/h5-11,16H,12-15,17H2,1-4H3,(H,24,27);5-8H,9-14H2,1-4H3;9-12H,6-8,13-14H2,1-5H3;4-12H,1-3H3;4-7H,8-12H2,1-3H3;7-10H,6,11-12H2,1-5H3;4-7H,8-11H2,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-7,11H,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3.
What are the key properties of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine?
1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine has a molecular weight of 2543.83 g/mol, XLogP of 38.36, 26 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-nitrobenzene;4-tert-butylphenol;3-(4-tert-butylphenoxy)-N,N-diethylpropan-1-amine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;1-[2-(4-tert-butylphenoxy)ethyl]-4-methylpiperazine;1-tert-butyl-4-phenylbenzene;4-[(4-tert-butylphenyl)methyl]morpholine;N-(3-tert-butylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-(4-tert-butylphenyl)morpholine is sourced from PubChem (CID 159236702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).