(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide

C18H28N2O — CID 104983988

IUPAC(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
SMILESCCC1CCCCC1NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-15-10-6-7-11-17(15)20-18(21)16(19)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13,19H2,1H3,(H,20,21)/t15?,16-,17?/m0/s1
InChIKeyDOAYNPAUMZMEKM-CGZBRXJRSA-N
MW288.43 g/mol
LogP3.03
Rot. Bonds6

About (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide

(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide (PubChem CID 104983988) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
PubChem CID104983988
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
SMILESCCC1CCCCC1NC(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-15-10-6-7-11-17(15)20-18(21)16(19)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13,19H2,1H3,(H,20,21)/t15?,16-,17?/m0/s1
InChIKeyDOAYNPAUMZMEKM-CGZBRXJRSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
CID 104984765
2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
CID 119317652
2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
CID 114929264
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116
3-amino-N-(2-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877747
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
CID 104983814
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide (CID 104983988) is (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide is CCC1CCCCC1NC(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide?
The InChIKey is DOAYNPAUMZMEKM-CGZBRXJRSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-15-10-6-7-11-17(15)20-18(21)16(19)13-12-14-8-4-3-5-9-14/h3-5,8-9,15-17H,2,6-7,10-13,19H2,1H3,(H,20,21)/t15?,16-,17?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide?
(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide has a molecular weight of 288.43 g/mol, XLogP of 3.03, 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-ethylcyclohexyl)-4-phenylbutanamide is sourced from PubChem (CID 104983988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).