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

C17H26N2O — CID 61178134

IUPAC(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCC1CCCCC1
InChIInChI=1S/C17H26N2O/c18-16(13-15-9-5-2-6-10-15)17(20)19-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13,18H2,(H,19,20)/t16-/m0/s1
InChIKeyYAVFVAUIGKJIOO-INIZCTEOSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds6

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

(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide (PubChem CID 61178134) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
PubChem CID61178134
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCCC1CCCCC1
InChIInChI=1S/C17H26N2O/c18-16(13-15-9-5-2-6-10-15)17(20)19-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13,18H2,(H,19,20)/t16-/m0/s1
InChIKeyYAVFVAUIGKJIOO-INIZCTEOSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-cyclohexylethyl)propanamide;dihydrochloride
CID 119725748
2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
CID 119289820
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide
CID 119338181
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide (CID 61178134) is (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCCC1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide?
The InChIKey is YAVFVAUIGKJIOO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O/c18-16(13-15-9-5-2-6-10-15)17(20)19-12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13,18H2,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide is sourced from PubChem (CID 61178134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).