N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide

C17H34N2O3 — CID 14478731

IUPACN-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H34N2O3/c1-12(2)8-9-16(21)19-11-15(20)17(22)14(18)10-13-6-4-3-5-7-13/h12-15,17,20,22H,3-11,18H2,1-2H3,(H,19,21)/t14-,15-,17+/m0/s1
InChIKeyBGMYHNXDPGTZLC-YQQAZPJKSA-N
MW314.47 g/mol
LogP1.56
Rot. Bonds9

About N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide

N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide (PubChem CID 14478731) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
PubChem CID14478731
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC NameN-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H34N2O3/c1-12(2)8-9-16(21)19-11-15(20)17(22)14(18)10-13-6-4-3-5-7-13/h12-15,17,20,22H,3-11,18H2,1-2H3,(H,19,21)/t14-,15-,17+/m0/s1
InChIKeyBGMYHNXDPGTZLC-YQQAZPJKSA-N
XLogP1.56
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide 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,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833
2-(cyclohexylmethyl)-6-methyl-3-oxoheptanamide
CID 139703570
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
2-amino-1-cyclohexyl-6-methylheptane-3,4,5-triol
CID 22154938

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide?
The IUPAC name of N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide (CID 14478731) is N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide?
The canonical SMILES for N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide is CC(C)CCC(=O)NC[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide?
The InChIKey is BGMYHNXDPGTZLC-YQQAZPJKSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-12(2)8-9-16(21)19-11-15(20)17(22)14(18)10-13-6-4-3-5-7-13/h12-15,17,20,22H,3-11,18H2,1-2H3,(H,19,21)/t14-,15-,17+/m0/s1.
What are the key properties of N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide?
N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide has a molecular weight of 314.47 g/mol, XLogP of 1.56, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S)-4-amino-5-cyclohexyl-2,3-dihydroxypentyl]-4-methylpentanamide is sourced from PubChem (CID 14478731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).