N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide

C16H23NO2 — CID 82121758

IUPACN-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCCC1CO)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-17(14-9-4-3-5-10-14)16(19)15-11-7-6-8-13(15)12-18/h3-5,9-10,13,15,18H,2,6-8,11-12H2,1H3
InChIKeyIICDMGOMPWGFIY-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.84
Rot. Bonds4

About N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide

N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide (PubChem CID 82121758) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide
PubChem CID82121758
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCCC1CO)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-17(14-9-4-3-5-10-14)16(19)15-11-7-6-8-13(15)12-18/h3-5,9-10,13,15,18H,2,6-8,11-12H2,1H3
InChIKeyIICDMGOMPWGFIY-UHFFFAOYSA-N
XLogP2.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(phenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360944
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
cis-(1R,2S)-2-[2-(N-[(1S,2S)-2-carboxycyclohexanecarbonyl]anilino)ethyl-phenylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51863308
2-amino-N-butyl-N-phenylcyclopentane-1-carboxamide
CID 64850280
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
N-ethyl-6-methyl-N-phenylpiperidine-2-carboxamide
CID 24699676
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
2-(N-[(1S,2R)-2-sulfanylcyclohexanecarbonyl]anilino)acetic acid
CID 20642356
N-ethyl-5-oxo-N,1-diphenylpyrrolidine-2-carboxamide
CID 110418953
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide (CID 82121758) is N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide is CCN(C(=O)C1CCCCC1CO)c1ccccc1.
What is the InChIKey of N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide?
The InChIKey is IICDMGOMPWGFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-17(14-9-4-3-5-10-14)16(19)15-11-7-6-8-13(15)12-18/h3-5,9-10,13,15,18H,2,6-8,11-12H2,1H3.
What are the key properties of N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide?
N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(hydroxymethyl)-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 82121758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).