N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

C15H27NO2 — CID 148780004

IUPACN-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(C)C[C@H](C)[C@H]1NC(C)=O
InChIInChI=1S/C15H27NO2/c1-6-13(7-2)18-14-9-10(3)8-11(4)15(14)16-12(5)17/h9,11,13-15H,6-8H2,1-5H3,(H,16,17)/t11-,14+,15+/m0/s1
InChIKeyOKCMXYPZSYFLKL-NILFDRSVSA-N
MW253.39 g/mol
LogP3.05
Rot. Bonds5

About N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 148780004) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID148780004
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(C)C[C@H](C)[C@H]1NC(C)=O
InChIInChI=1S/C15H27NO2/c1-6-13(7-2)18-14-9-10(3)8-11(4)15(14)16-12(5)17/h9,11,13-15H,6-8H2,1-5H3,(H,16,17)/t11-,14+,15+/m0/s1
InChIKeyOKCMXYPZSYFLKL-NILFDRSVSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide 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 N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 148780004) is N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC(CC)O[C@@H]1C=C(C)C[C@H](C)[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is OKCMXYPZSYFLKL-NILFDRSVSA-N. The full InChI is InChI=1S/C15H27NO2/c1-6-13(7-2)18-14-9-10(3)8-11(4)15(14)16-12(5)17/h9,11,13-15H,6-8H2,1-5H3,(H,16,17)/t11-,14+,15+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 148780004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).