2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide

C23H34N2O2 — CID 22849622

IUPAC2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
SMILESC=C(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC(C)CCC1C(C)C
InChIInChI=1S/C23H34N2O2/c1-15(2)19-12-11-17(5)13-20(19)24-23(27)21(25-22(26)16(3)4)14-18-9-7-6-8-10-18/h6-10,15,17,19-21H,3,11-14H2,1-2,4-5H3,(H,24,27)(H,25,26)/t17?,19?,20?,21-/m0/s1
InChIKeyKZGNYLFQTOAJOK-SLQSYFLNSA-N
MW370.54 g/mol
LogP3.87
Rot. Bonds7

About 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide

2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide (PubChem CID 22849622) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
PubChem CID22849622
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
SMILESC=C(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC(C)CCC1C(C)C
InChIInChI=1S/C23H34N2O2/c1-15(2)19-12-11-17(5)13-20(19)24-23(27)21(25-22(26)16(3)4)14-18-9-7-6-8-10-18/h6-10,15,17,19-21H,3,11-14H2,1-2,4-5H3,(H,24,27)(H,25,26)/t17?,19?,20?,21-/m0/s1
InChIKeyKZGNYLFQTOAJOK-SLQSYFLNSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(2S)-1-[[(1S,2S)-2-[[(2S)-2-(2-methylprop-2-enoylamino)-3-phenylpropanoyl]amino]cyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
CID 101156220
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-benzamido-3-phenylpropanoate
CID 101139748
2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide
CID 139483101
3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 55110853
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
CID 66573625
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 126009171
N-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 52637714
3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
CID 107033557

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide (CID 22849622) is 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide is C=C(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide?
The InChIKey is KZGNYLFQTOAJOK-SLQSYFLNSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-15(2)19-12-11-17(5)13-20(19)24-23(27)21(25-22(26)16(3)4)14-18-9-7-6-8-10-18/h6-10,15,17,19-21H,3,11-14H2,1-2,4-5H3,(H,24,27)(H,25,26)/t17?,19?,20?,21-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide?
2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide has a molecular weight of 370.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide is sourced from PubChem (CID 22849622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).