(2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide

C19H35NO2 — CID 54333748

IUPAC(2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide
SMILESCCCCNC(=O)[C@@](CC(=O)CC)(C(C)C)C1CCCCC1
InChIInChI=1S/C19H35NO2/c1-5-7-13-20-18(22)19(15(3)4,14-17(21)6-2)16-11-9-8-10-12-16/h15-16H,5-14H2,1-4H3,(H,20,22)/t19-/m0/s1
InChIKeyTTZKURZPQZUJKK-IBGZPJMESA-N
MW309.49 g/mol
LogP4.49
Rot. Bonds9

About (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide

(2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide (PubChem CID 54333748) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide
PubChem CID54333748
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name(2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide
SMILESCCCCNC(=O)[C@@](CC(=O)CC)(C(C)C)C1CCCCC1
InChIInChI=1S/C19H35NO2/c1-5-7-13-20-18(22)19(15(3)4,14-17(21)6-2)16-11-9-8-10-12-16/h15-16H,5-14H2,1-4H3,(H,20,22)/t19-/m0/s1
InChIKeyTTZKURZPQZUJKK-IBGZPJMESA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide 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-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide?
The IUPAC name of (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide (CID 54333748) is (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide.
What is the SMILES notation for (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide?
The canonical SMILES for (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide is CCCCNC(=O)[C@@](CC(=O)CC)(C(C)C)C1CCCCC1.
What is the InChIKey of (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide?
The InChIKey is TTZKURZPQZUJKK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H35NO2/c1-5-7-13-20-18(22)19(15(3)4,14-17(21)6-2)16-11-9-8-10-12-16/h15-16H,5-14H2,1-4H3,(H,20,22)/t19-/m0/s1.
What are the key properties of (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide?
(2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide has a molecular weight of 309.49 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-cyclohexyl-4-oxo-2-propan-2-ylhexanamide is sourced from PubChem (CID 54333748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).