(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide

C18H28N2O — CID 104984652

IUPAC(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
SMILESC[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-14(16-10-6-3-7-11-16)20-18(21)17(19)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-17H,3,6-7,10-13,19H2,1H3,(H,20,21)/t14-,17+/m1/s1
InChIKeyIXZYLGRBWCUQSQ-PBHICJAKSA-N
MW288.43 g/mol
LogP3.03
Rot. Bonds6

About (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide

(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide (PubChem CID 104984652) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
PubChem CID104984652
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
SMILESC[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-14(16-10-6-3-7-11-16)20-18(21)17(19)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-17H,3,6-7,10-13,19H2,1H3,(H,20,21)/t14-,17+/m1/s1
InChIKeyIXZYLGRBWCUQSQ-PBHICJAKSA-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

2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide (CID 104984652) is (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide is C[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide?
The InChIKey is IXZYLGRBWCUQSQ-PBHICJAKSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(16-10-6-3-7-11-16)20-18(21)17(19)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-17H,3,6-7,10-13,19H2,1H3,(H,20,21)/t14-,17+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide?
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-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-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide is sourced from PubChem (CID 104984652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).