(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide

C17H26N2O2 — CID 70065939

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1NC(=O)C(O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-12-7-5-6-10-15(12)19-17(21)16(20)14(18)11-13-8-3-2-4-9-13/h5-7,10,13-14,16,20H,2-4,8-9,11,18H2,1H3,(H,19,21)/t14-,16?/m1/s1
InChIKeyRKTJALSLXLIPEW-IURRXHLWSA-N
MW290.41 g/mol
LogP2.59
Rot. Bonds5

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide (PubChem CID 70065939) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
PubChem CID70065939
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1NC(=O)C(O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-12-7-5-6-10-15(12)19-17(21)16(20)14(18)11-13-8-3-2-4-9-13/h5-7,10,13-14,16,20H,2-4,8-9,11,18H2,1H3,(H,19,21)/t14-,16?/m1/s1
InChIKeyRKTJALSLXLIPEW-IURRXHLWSA-N
XLogP2.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
CID 10133507
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
methyl 4-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]thiophene-3-carboxylate;hydrochloride
CID 70062887
3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
CID 21198823
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
CID 70064214
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 54429996
3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
CID 21198770
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 70064539
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452
benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
CID 91156388

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide (CID 70065939) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide is Cc1ccccc1NC(=O)C(O)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide?
The InChIKey is RKTJALSLXLIPEW-IURRXHLWSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-5-6-10-15(12)19-17(21)16(20)14(18)11-13-8-3-2-4-9-13/h5-7,10,13-14,16,20H,2-4,8-9,11,18H2,1H3,(H,19,21)/t14-,16?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 70065939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).