(2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide

C19H38N2O2 — CID 54472012

IUPAC(2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide
SMILESCC(C)CCC[C@H](C)C(=O)NC(C1CCCCC1)C(N)[C@H](C)O
InChIInChI=1S/C19H38N2O2/c1-13(2)9-8-10-14(3)19(23)21-18(17(20)15(4)22)16-11-6-5-7-12-16/h13-18,22H,5-12,20H2,1-4H3,(H,21,23)/t14-,15-,17?,18?/m0/s1
InChIKeyXIZWVIMHBGTYRW-QEFXCSQDSA-N
MW326.53 g/mol
LogP3.22
Rot. Bonds9

About (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide

(2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide (PubChem CID 54472012) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide
PubChem CID54472012
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name(2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide
SMILESCC(C)CCC[C@H](C)C(=O)NC(C1CCCCC1)C(N)[C@H](C)O
InChIInChI=1S/C19H38N2O2/c1-13(2)9-8-10-14(3)19(23)21-18(17(20)15(4)22)16-11-6-5-7-12-16/h13-18,22H,5-12,20H2,1-4H3,(H,21,23)/t14-,15-,17?,18?/m0/s1
InChIKeyXIZWVIMHBGTYRW-QEFXCSQDSA-N
XLogP3.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide?
The IUPAC name of (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide (CID 54472012) is (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide.
What is the SMILES notation for (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide?
The canonical SMILES for (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide is CC(C)CCC[C@H](C)C(=O)NC(C1CCCCC1)C(N)[C@H](C)O.
What is the InChIKey of (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide?
The InChIKey is XIZWVIMHBGTYRW-QEFXCSQDSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-13(2)9-8-10-14(3)19(23)21-18(17(20)15(4)22)16-11-6-5-7-12-16/h13-18,22H,5-12,20H2,1-4H3,(H,21,23)/t14-,15-,17?,18?/m0/s1.
What are the key properties of (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide?
(2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide has a molecular weight of 326.53 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-2-amino-1-cyclohexyl-3-hydroxybutyl]-2,6-dimethylheptanamide is sourced from PubChem (CID 54472012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).