(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide

C16H29ClN2O2 — CID 87616387

IUPAC(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide
SMILESC=C(Cl)C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)NC
InChIInChI=1S/C16H29ClN2O2/c1-11(17)8-13(16(21)19-2)10-15(20)14(18)9-12-6-4-3-5-7-12/h12-15,20H,1,3-10,18H2,2H3,(H,19,21)/t13-,14+,15+/m1/s1
InChIKeyKCZXQFYDUZYVGC-ILXRZTDVSA-N
MW316.87 g/mol
LogP2.54
Rot. Bonds8

About (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide

(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide (PubChem CID 87616387) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide.

Molecular Properties

Compound Name(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide
PubChem CID87616387
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC Name(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide
SMILESC=C(Cl)C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)NC
InChIInChI=1S/C16H29ClN2O2/c1-11(17)8-13(16(21)19-2)10-15(20)14(18)9-12-6-4-3-5-7-12/h12-15,20H,1,3-10,18H2,2H3,(H,19,21)/t13-,14+,15+/m1/s1
InChIKeyKCZXQFYDUZYVGC-ILXRZTDVSA-N
XLogP2.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide 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

(2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-methyl-2-[(4-methylphenyl)methyl]hexanamide
CID 15708336
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2S,4S)-N-carbamoyl-2-(2-chloroprop-2-enyl)-5-cyclohexyl-4-hydroxyhexanamide
CID 173261430
(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
(3S,4S)-4-amino-1,1,5-tricyclohexylpentan-3-ol
CID 57278444
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041382
(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
CID 58964067
N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-sulfanylpentanamide
CID 88638536
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101
3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
CID 142647883
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide?
The IUPAC name of (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide (CID 87616387) is (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide.
What is the SMILES notation for (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide?
The canonical SMILES for (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide is C=C(Cl)C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)NC.
What is the InChIKey of (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide?
The InChIKey is KCZXQFYDUZYVGC-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H29ClN2O2/c1-11(17)8-13(16(21)19-2)10-15(20)14(18)9-12-6-4-3-5-7-12/h12-15,20H,1,3-10,18H2,2H3,(H,19,21)/t13-,14+,15+/m1/s1.
What are the key properties of (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide?
(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide has a molecular weight of 316.87 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide is sourced from PubChem (CID 87616387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).