4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine

C125H186N10O11 — CID 160881957

IUPAC4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(O)C2)cc1.CC(C)(C)c1ccc(CC(=O)N2CCCC2)cc1.CC(C)(C)c1ccc(CCC(=O)N2CCCC2)cc1.CC(C)(C)c1ccc(CCC(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CN(C)C(=O)CCc1ccc(C(C)(C)C)cc1.CN1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1.COc1cc(C(C)(C)C)ccc1C(=O)N(C)C
InChIInChI=1S/C18H28N2O.C17H25NO2.C17H25NO.C16H23NO.C15H21NO2.C15H23NO.C14H21NO2.C13H20N2O/c1-18(2,3)16-8-5-15(6-9-16)7-10-17(21)20-13-11-19(4)12-14-20;1-17(2,3)15-7-4-14(5-8-15)6-9-16(19)18-10-12-20-13-11-18;1-17(2,3)15-9-6-14(7-10-15)8-11-16(19)18-12-4-5-13-18;1-16(2,3)14-8-6-13(7-9-14)12-15(18)17-10-4-5-11-17;1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16;1-15(2,3)13-9-6-12(7-10-13)8-11-14(17)16(4)5;1-14(2,3)10-7-8-11(12(9-10)17-6)13(16)15(4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15/h5-6,8-9H,7,10-14H2,1-4H3;4-5,7-8H,6,9-13H2,1-3H3;6-7,9-10H,4-5,8,11-13H2,1-3H3;6-9H,4-5,10-12H2,1-3H3;4-7,13,17H,8-10H2,1-3H3;6-7,9-10H,8,11H2,1-5H3;7-9H,1-6H3;4-5,10H,6-9H2,1-3H3
InChIKeySNDOQHCGJIHSNS-UHFFFAOYSA-N
MW2004.92 g/mol
LogP22.26
Rot. Bonds18

About 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine

4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine (PubChem CID 160881957) has the molecular formula C125H186N10O11 and a molecular weight of 2004.92 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine
PubChem CID160881957
Molecular FormulaC125H186N10O11
Molecular Weight2004.92 g/mol
Exact Mass2003.43
IUPAC Name4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(O)C2)cc1.CC(C)(C)c1ccc(CC(=O)N2CCCC2)cc1.CC(C)(C)c1ccc(CCC(=O)N2CCCC2)cc1.CC(C)(C)c1ccc(CCC(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CN(C)C(=O)CCc1ccc(C(C)(C)C)cc1.CN1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1.COc1cc(C(C)(C)C)ccc1C(=O)N(C)C
InChIInChI=1S/C18H28N2O.C17H25NO2.C17H25NO.C16H23NO.C15H21NO2.C15H23NO.C14H21NO2.C13H20N2O/c1-18(2,3)16-8-5-15(6-9-16)7-10-17(21)20-13-11-19(4)12-14-20;1-17(2,3)15-7-4-14(5-8-15)6-9-16(19)18-10-12-20-13-11-18;1-17(2,3)15-9-6-14(7-10-15)8-11-16(19)18-12-4-5-13-18;1-16(2,3)14-8-6-13(7-9-14)12-15(18)17-10-4-5-11-17;1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16;1-15(2,3)13-9-6-12(7-10-13)8-11-14(17)16(4)5;1-14(2,3)10-7-8-11(12(9-10)17-6)13(16)15(4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15/h5-6,8-9H,7,10-14H2,1-4H3;4-5,7-8H,6,9-13H2,1-3H3;6-7,9-10H,4-5,8,11-13H2,1-3H3;6-9H,4-5,10-12H2,1-3H3;4-7,13,17H,8-10H2,1-3H3;6-7,9-10H,8,11H2,1-5H3;7-9H,1-6H3;4-5,10H,6-9H2,1-3H3
InChIKeySNDOQHCGJIHSNS-UHFFFAOYSA-N
XLogP22.26
TPSA209.46 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002004.92
LogP ≤ 522.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[(2R)-4-(4-tert-butyl-2-methoxyphenyl)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]pyrrolidine-3-carboxylic acid;(3S)-1-[(2R)-4-(4-butylphenyl)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]pyrrolidine-3-carboxylic acid;(3S)-1-[(2R)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-3-carboxylic acid
CID 157972122
cumene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;(2-methoxy-4-propan-2-ylphenyl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone;2-methoxy-5-propan-2-ylpyridine;3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(oxetan-3-yl)-4-(4-propan-2-ylphenyl)piperazine;1-[(4-propan-2-ylphenyl)methyl]imidazole;[(2R)-4-(4-propan-2-ylphenyl)morpholin-2-yl]methanol
CID 160819700

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine?
The IUPAC name of 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine (CID 160881957) is 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine.
What is the SMILES notation for 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine?
The canonical SMILES for 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine is CC(C)(C)c1ccc(C(=O)N2CCC(O)C2)cc1.CC(C)(C)c1ccc(CC(=O)N2CCCC2)cc1.CC(C)(C)c1ccc(CCC(=O)N2CCCC2)cc1.CC(C)(C)c1ccc(CCC(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CN(C)C(=O)CCc1ccc(C(C)(C)C)cc1.CN1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1.COc1cc(C(C)(C)C)ccc1C(=O)N(C)C.
What is the InChIKey of 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine?
The InChIKey is SNDOQHCGJIHSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.C17H25NO2.C17H25NO.C16H23NO.C15H21NO2.C15H23NO.C14H21NO2.C13H20N2O/c1-18(2,3)16-8-5-15(6-9-16)7-10-17(21)20-13-11-19(4)12-14-20;1-17(2,3)15-7-4-14(5-8-15)6-9-16(19)18-10-12-20-13-11-18;1-17(2,3)15-9-6-14(7-10-15)8-11-16(19)18-12-4-5-13-18;1-16(2,3)14-8-6-13(7-9-14)12-15(18)17-10-4-5-11-17;1-15(2,3)12-6-4-11(5-7-12)14(18)16-9-8-13(17)10-16;1-15(2,3)13-9-6-12(7-10-13)8-11-14(17)16(4)5;1-14(2,3)10-7-8-11(12(9-10)17-6)13(16)15(4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15/h5-6,8-9H,7,10-14H2,1-4H3;4-5,7-8H,6,9-13H2,1-3H3;6-7,9-10H,4-5,8,11-13H2,1-3H3;6-9H,4-5,10-12H2,1-3H3;4-7,13,17H,8-10H2,1-3H3;6-7,9-10H,8,11H2,1-5H3;7-9H,1-6H3;4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine?
4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine has a molecular weight of 2004.92 g/mol, XLogP of 22.26, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-N,N-dimethylbenzamide;3-(4-tert-butylphenyl)-N,N-dimethylpropanamide;(4-tert-butylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone;3-(4-tert-butylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;3-(4-tert-butylphenyl)-1-morpholin-4-ylpropan-1-one;2-(4-tert-butylphenyl)-1-pyrrolidin-1-ylethanone;3-(4-tert-butylphenyl)-1-pyrrolidin-1-ylpropan-1-one;4-(5-tert-butyl-2-pyridinyl)morpholine is sourced from PubChem (CID 160881957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).