1-[(3-cyanophenyl)methyl]-3-cyclohexylurea

C15H19N3O — CID 47216904

IUPAC1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
SMILESN#Cc1cccc(CNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H19N3O/c16-10-12-5-4-6-13(9-12)11-17-15(19)18-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,11H2,(H2,17,18,19)
InChIKeyQCEHLBYEVNMNPO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.69
Rot. Bonds3

About 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea

1-[(3-cyanophenyl)methyl]-3-cyclohexylurea (PubChem CID 47216904) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
PubChem CID47216904
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
SMILESN#Cc1cccc(CNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H19N3O/c16-10-12-5-4-6-13(9-12)11-17-15(19)18-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,11H2,(H2,17,18,19)
InChIKeyQCEHLBYEVNMNPO-UHFFFAOYSA-N
XLogP2.69
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
1-[(4-cyano-2-fluorophenyl)methyl]-3-cyclohexylurea
CID 63359347
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
1-[(3-cyanophenyl)methyl]-3-[(4S)-4-fluoro-2-bicyclo[3.1.1]heptanyl]urea
CID 170134352
2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide
CID 167779349
2-[(3-cyanophenyl)methylcarbamoylamino]acetic acid
CID 16795379
4-[(3-cyanophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239975
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111520470
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea (CID 47216904) is 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea is N#Cc1cccc(CNC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea?
The InChIKey is QCEHLBYEVNMNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-12-5-4-6-13(9-12)11-17-15(19)18-14-7-2-1-3-8-14/h4-6,9,14H,1-3,7-8,11H2,(H2,17,18,19).
What are the key properties of 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea?
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea has a molecular weight of 257.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-3-cyclohexylurea is sourced from PubChem (CID 47216904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).