cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide

C14H19NO2 — CID 14875648

IUPACcis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C14H19NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13+/m1/s1
InChIKeyWHBFJVBIZUITOP-OLZOCXBDSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds3

About cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide

cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide (PubChem CID 14875648) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide
PubChem CID14875648
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C14H19NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13+/m1/s1
InChIKeyWHBFJVBIZUITOP-OLZOCXBDSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide 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

N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
2-(Benzylcarbamoyl)cyclohexanecarboxylic acid
CID 2841812
N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 154665746
2-(3-benzylcyclobutyl)-N-(4-hydroxycyclohexyl)acetamide
CID 154665769
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide
CID 155026181
N-(4-hydroxycyclohexyl)-2-[2-(2-phenylethyl)cyclopropyl]acetamide
CID 155258701
N-[(1s,4s)-4-Hydroxycyclohexyl] (1R,2R)-2-(3-phenylpropyl)cyclopropanecarboxamide
CID 164946745
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166625728
4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 166625783
N-(4-hydroxycyclohexyl)-3-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 166630816
N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166634360
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide
CID 166635919

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide (CID 14875648) is cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide?
The InChIKey is WHBFJVBIZUITOP-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide?
cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-benzyl-3-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 14875648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).