(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide

C21H34N2O2 — CID 15708336

IUPAC(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide
SMILESCNC(=O)[C@H](Cc1ccc(C)cc1)C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C21H34N2O2/c1-15-8-10-17(11-9-15)12-18(21(25)23-2)14-20(24)19(22)13-16-6-4-3-5-7-16/h8-11,16,18-20,24H,3-7,12-14,22H2,1-2H3,(H,23,25)/t18-,19+,20+/m1/s1
InChIKeyMITVJMLTOBYDGO-AABGKKOBSA-N
MW346.52 g/mol
LogP2.95
Rot. Bonds8

About (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide

(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide (PubChem CID 15708336) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide
PubChem CID15708336
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide
SMILESCNC(=O)[C@H](Cc1ccc(C)cc1)C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C21H34N2O2/c1-15-8-10-17(11-9-15)12-18(21(25)23-2)14-20(24)19(22)13-16-6-4-3-5-7-16/h8-11,16,18-20,24H,3-7,12-14,22H2,1-2H3,(H,23,25)/t18-,19+,20+/m1/s1
InChIKeyMITVJMLTOBYDGO-AABGKKOBSA-N
XLogP2.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide
CID 87616387
tert-butyl N-[(2S,3S,5R)-5-benzyl-1-cyclohexyl-3-hydroxy-6-(methylamino)-6-oxohexan-2-yl]carbamate
CID 15708261
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
1-cycloheptyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 114458140
tert-butyl N-[1-[[1-[[(2R,4S,5S)-5-amino-2-benzyl-6-cyclohexyl-4-hydroxyhexanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 70047603
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide
CID 11779868
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide
CID 85469875
[(2S,3S,5R)-5-(cyclohexylmethyl)-3-hydroxy-6-(methylamino)-6-oxo-1-phenylhexan-2-yl] quinoline-2-carboxylate
CID 139842439
tert-butyl N-[(2S)-5-[(2-chlorophenyl)methyl]-1-cyclohexyl-3-hydroxy-6-(methylamino)-6-oxohexan-2-yl]carbamate
CID 174518560

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide (CID 15708336) is (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide is CNC(=O)[C@H](Cc1ccc(C)cc1)C[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide?
The InChIKey is MITVJMLTOBYDGO-AABGKKOBSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-15-8-10-17(11-9-15)12-18(21(25)23-2)14-20(24)19(22)13-16-6-4-3-5-7-16/h8-11,16,18-20,24H,3-7,12-14,22H2,1-2H3,(H,23,25)/t18-,19+,20+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide?
(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide has a molecular weight of 346.52 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide is sourced from PubChem (CID 15708336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).