N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide

C147H218N14O13S — CID 159300086

IUPACN-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide
SMILESCC(=O)Cc1ccc(C(C)C)cc1.CC(C)/C=C/C(=O)N(C)C.CC(C)C(=O)N1CCCCC1.CC(C)Cc1cccc(N2CCOCC2)c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(=O)NC2CCC2)cc1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccnc(OC(C)(C)C)c1.CC1CN(c2ccc(C(C)C)cc2C#N)C1.COc1cc(C(C)C)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(C(C)C)ccc1N1CCOCC1.Cc1cc(N2CCOCC2)ccc1C(C)C
InChIInChI=1S/C15H24N2O3S.C14H18N2.C14H21NO2.2C14H21NO.C14H19NO.C13H16N2.C12H19NO.C12H16O.C9H17NO.C8H11NO.C8H15NO/c1-12(2)13-5-6-14(15(11-13)20-3)16-7-9-17(10-8-16)21(4,18)19;1-10(2)12-4-5-14(13(6-12)7-15)16-8-11(3)9-16;1-11(2)12-4-5-13(14(10-12)16-3)15-6-8-17-9-7-15;1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15;1-12(2)10-13-4-3-5-14(11-13)15-6-8-16-9-7-15;1-10(2)11-6-8-12(9-7-11)14(16)15-13-4-3-5-13;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-9(2)10-6-7-13-11(8-10)14-12(3,4)5;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-8(2)9(11)10-6-4-3-5-7-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)5-6-8(10)9(3)4/h5-6,11-12H,7-10H2,1-4H3;4-6,10-11H,8-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-5,11-12H,6-10H2,1-2H3;6-10,13H,3-5H2,1-2H3,(H,15,16);3-8,10-11H,9H2,1-2H3;6-9H,1-5H3;4-7,9H,8H2,1-3H3;8H,3-7H2,1-2H3;3-6H,1-2H3,(H,9,10);5-7H,1-4H3/b;;;;;;;;;;;6-5+
InChIKeyLBFJXMJIRVTJNK-YWEOTJRPSA-N
MW2421.51 g/mol
LogP30.28
Rot. Bonds29

About N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide

N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide (PubChem CID 159300086) has the molecular formula C147H218N14O13S and a molecular weight of 2421.51 g/mol. Its IUPAC name is N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide.

Molecular Properties

Compound NameN-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide
PubChem CID159300086
Molecular FormulaC147H218N14O13S
Molecular Weight2421.51 g/mol
Exact Mass2419.65
IUPAC NameN-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide
SMILESCC(=O)Cc1ccc(C(C)C)cc1.CC(C)/C=C/C(=O)N(C)C.CC(C)C(=O)N1CCCCC1.CC(C)Cc1cccc(N2CCOCC2)c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(=O)NC2CCC2)cc1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccnc(OC(C)(C)C)c1.CC1CN(c2ccc(C(C)C)cc2C#N)C1.COc1cc(C(C)C)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(C(C)C)ccc1N1CCOCC1.Cc1cc(N2CCOCC2)ccc1C(C)C
InChIInChI=1S/C15H24N2O3S.C14H18N2.C14H21NO2.2C14H21NO.C14H19NO.C13H16N2.C12H19NO.C12H16O.C9H17NO.C8H11NO.C8H15NO/c1-12(2)13-5-6-14(15(11-13)20-3)16-7-9-17(10-8-16)21(4,18)19;1-10(2)12-4-5-14(13(6-12)7-15)16-8-11(3)9-16;1-11(2)12-4-5-13(14(10-12)16-3)15-6-8-17-9-7-15;1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15;1-12(2)10-13-4-3-5-14(11-13)15-6-8-16-9-7-15;1-10(2)11-6-8-12(9-7-11)14(16)15-13-4-3-5-13;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-9(2)10-6-7-13-11(8-10)14-12(3,4)5;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-8(2)9(11)10-6-4-3-5-7-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)5-6-8(10)9(3)4/h5-6,11-12H,7-10H2,1-4H3;4-6,10-11H,8-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-5,11-12H,6-10H2,1-2H3;6-10,13H,3-5H2,1-2H3,(H,15,16);3-8,10-11H,9H2,1-2H3;6-9H,1-5H3;4-7,9H,8H2,1-3H3;8H,3-7H2,1-2H3;3-6H,1-2H3,(H,9,10);5-7H,1-4H3/b;;;;;;;;;;;6-5+
InChIKeyLBFJXMJIRVTJNK-YWEOTJRPSA-N
XLogP30.28
TPSA283.11 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms175
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002421.51
LogP ≤ 530.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide?
The IUPAC name of N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide (CID 159300086) is N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide.
What is the SMILES notation for N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide?
The canonical SMILES for N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide is CC(=O)Cc1ccc(C(C)C)cc1.CC(C)/C=C/C(=O)N(C)C.CC(C)C(=O)N1CCCCC1.CC(C)Cc1cccc(N2CCOCC2)c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(=O)NC2CCC2)cc1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccnc(OC(C)(C)C)c1.CC1CN(c2ccc(C(C)C)cc2C#N)C1.COc1cc(C(C)C)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(C(C)C)ccc1N1CCOCC1.Cc1cc(N2CCOCC2)ccc1C(C)C.
What is the InChIKey of N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide?
The InChIKey is LBFJXMJIRVTJNK-YWEOTJRPSA-N. The full InChI is InChI=1S/C15H24N2O3S.C14H18N2.C14H21NO2.2C14H21NO.C14H19NO.C13H16N2.C12H19NO.C12H16O.C9H17NO.C8H11NO.C8H15NO/c1-12(2)13-5-6-14(15(11-13)20-3)16-7-9-17(10-8-16)21(4,18)19;1-10(2)12-4-5-14(13(6-12)7-15)16-8-11(3)9-16;1-11(2)12-4-5-13(14(10-12)16-3)15-6-8-17-9-7-15;1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15;1-12(2)10-13-4-3-5-14(11-13)15-6-8-16-9-7-15;1-10(2)11-6-8-12(9-7-11)14(16)15-13-4-3-5-13;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-9(2)10-6-7-13-11(8-10)14-12(3,4)5;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-8(2)9(11)10-6-4-3-5-7-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)5-6-8(10)9(3)4/h5-6,11-12H,7-10H2,1-4H3;4-6,10-11H,8-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-5,11-12H,6-10H2,1-2H3;6-10,13H,3-5H2,1-2H3,(H,15,16);3-8,10-11H,9H2,1-2H3;6-9H,1-5H3;4-7,9H,8H2,1-3H3;8H,3-7H2,1-2H3;3-6H,1-2H3,(H,9,10);5-7H,1-4H3/b;;;;;;;;;;;6-5+.
What are the key properties of N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide?
N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide has a molecular weight of 2421.51 g/mol, XLogP of 30.28, 29 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide is sourced from PubChem (CID 159300086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).