1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea

C15H19N3O2 — CID 62520959

IUPAC1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
SMILESN#Cc1ccc(NC(=O)NC2(CO)CCCCC2)cc1
InChIInChI=1S/C15H19N3O2/c16-10-12-4-6-13(7-5-12)17-14(20)18-15(11-19)8-2-1-3-9-15/h4-7,19H,1-3,8-9,11H2,(H2,17,18,20)
InChIKeyTYKFTCWRPAMAEX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea

1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea (PubChem CID 62520959) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
PubChem CID62520959
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
SMILESN#Cc1ccc(NC(=O)NC2(CO)CCCCC2)cc1
InChIInChI=1S/C15H19N3O2/c16-10-12-4-6-13(7-5-12)17-14(20)18-15(11-19)8-2-1-3-9-15/h4-7,19H,1-3,8-9,11H2,(H2,17,18,20)
InChIKeyTYKFTCWRPAMAEX-UHFFFAOYSA-N
XLogP2.37
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
CID 64701364
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
CID 79845517
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
1-(3-chloro-4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925826
1-[1-(hydroxymethyl)cyclopentyl]-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 111926476
1-(3-cyanophenyl)-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62526001
1-[1-(hydroxymethyl)cyclopentyl]-3-(3,4,5-trifluorophenyl)urea
CID 111926557
(1-aminocycloheptyl)methyl N-(4-cyanophenyl)carbamate
CID 79341766

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea (CID 62520959) is 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea is N#Cc1ccc(NC(=O)NC2(CO)CCCCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea?
The InChIKey is TYKFTCWRPAMAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-12-4-6-13(7-5-12)17-14(20)18-15(11-19)8-2-1-3-9-15/h4-7,19H,1-3,8-9,11H2,(H2,17,18,20).
What are the key properties of 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea?
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea has a molecular weight of 273.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea is sourced from PubChem (CID 62520959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).