(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide

C21H26N2O — CID 119285391

IUPAC(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c22-20(15-16-7-3-1-4-8-16)21(24)23-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,18-20H,11-15,22H2,(H,23,24)/t18?,19?,20-/m0/s1
InChIKeyCMQCQTMLLUNICA-MHJFOBGBSA-N
MW322.45 g/mol
LogP3.40
Rot. Bonds5

About (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide

(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide (PubChem CID 119285391) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
PubChem CID119285391
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c22-20(15-16-7-3-1-4-8-16)21(24)23-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,18-20H,11-15,22H2,(H,23,24)/t18?,19?,20-/m0/s1
InChIKeyCMQCQTMLLUNICA-MHJFOBGBSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119297434
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide?
The IUPAC name of (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide (CID 119285391) is (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide is N[C@@H](Cc1ccccc1)C(=O)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide?
The InChIKey is CMQCQTMLLUNICA-MHJFOBGBSA-N. The full InChI is InChI=1S/C21H26N2O/c22-20(15-16-7-3-1-4-8-16)21(24)23-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,18-20H,11-15,22H2,(H,23,24)/t18?,19?,20-/m0/s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide?
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide is sourced from PubChem (CID 119285391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).