(3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide

C15H23N3O — CID 95552965

IUPAC(3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1[C@@H](C)CC(=O)NCC1=CCCCC1
InChIInChI=1S/C15H23N3O/c1-12(18-9-8-16-13(18)2)10-15(19)17-11-14-6-4-3-5-7-14/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeySSTGQIDIPXNEGP-LBPRGKRZSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds5

About (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide

(3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide (PubChem CID 95552965) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide
PubChem CID95552965
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide
SMILESCc1nccn1[C@@H](C)CC(=O)NCC1=CCCCC1
InChIInChI=1S/C15H23N3O/c1-12(18-9-8-16-13(18)2)10-15(19)17-11-14-6-4-3-5-7-14/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeySSTGQIDIPXNEGP-LBPRGKRZSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide 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 (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide (CID 95552965) is (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide is Cc1nccn1[C@@H](C)CC(=O)NCC1=CCCCC1.
What is the InChIKey of (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide?
The InChIKey is SSTGQIDIPXNEGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(18-9-8-16-13(18)2)10-15(19)17-11-14-6-4-3-5-7-14/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide?
(3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclohexen-1-ylmethyl)-3-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 95552965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).