(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide

C17H26N2O — CID 64747832

IUPAC(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
SMILESCCC1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-2-13-9-6-10-15(11-13)19-17(20)16(18)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12,18H2,1H3,(H,19,20)/t13?,15?,16-/m0/s1
InChIKeyUKPDMMUPZQGKAC-BCLQGDPASA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds5

About (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide

(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide (PubChem CID 64747832) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
PubChem CID64747832
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
SMILESCCC1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-2-13-9-6-10-15(11-13)19-17(20)16(18)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12,18H2,1H3,(H,19,20)/t13?,15?,16-/m0/s1
InChIKeyUKPDMMUPZQGKAC-BCLQGDPASA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119957507
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 64748044
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(3-ethylcyclohexyl)-3-methoxypropanamide;hydrochloride
CID 120990597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide (CID 64747832) is (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide is CCC1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide?
The InChIKey is UKPDMMUPZQGKAC-BCLQGDPASA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-9-6-10-15(11-13)19-17(20)16(18)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,2,6,9-12,18H2,1H3,(H,19,20)/t13?,15?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide?
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 64747832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).