N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide

C17H23NO2 — CID 62521476

IUPACN-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c19-13-16(9-5-2-6-10-16)18-15(20)17(11-12-17)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-13H2,(H,18,20)
InChIKeyZQTZOILAPVNFKC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 62521476) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID62521476
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c19-13-16(9-5-2-6-10-16)18-15(20)17(11-12-17)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-13H2,(H,18,20)
InChIKeyZQTZOILAPVNFKC-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide
CID 114303546
N-[1-(aminomethyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 63753599
2-[1-[(1-phenylcyclopropanecarbonyl)amino]cyclobutyl]acetic acid
CID 79846404
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423700
N-(1-carbamothioylcyclohexyl)-1-phenylcyclopropane-1-carboxamide
CID 62881411
N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 106297128
1-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 43360266
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
CID 62521229
N'-[1-(hydroxymethyl)cyclopentyl]-N-phenyloxamide
CID 110008759
dimethyl-[1-[[(1-phenylcyclopropanecarbonyl)amino]methyl]cyclohexyl]azanium
CID 2518064

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide (CID 62521476) is N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide is O=C(NC1(CO)CCCCC1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is ZQTZOILAPVNFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-13-16(9-5-2-6-10-16)18-15(20)17(11-12-17)14-7-3-1-4-8-14/h1,3-4,7-8,19H,2,5-6,9-13H2,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 62521476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).