1-cyclopropyl-3-(3-methylphenyl)urea

C11H14N2O — CID 841579

IUPAC1-cyclopropyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-10(7-8)13-11(14)12-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H2,12,13,14)
InChIKeyNPZCGJTYHDBYQU-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.28
Rot. Bonds2

About 1-cyclopropyl-3-(3-methylphenyl)urea

1-cyclopropyl-3-(3-methylphenyl)urea (PubChem CID 841579) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methylphenyl)urea
PubChem CID841579
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-cyclopropyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-10(7-8)13-11(14)12-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H2,12,13,14)
InChIKeyNPZCGJTYHDBYQU-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633469
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-3-(3-methylphenyl)urea
CID 97328121
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
N-(4-ethylcyclohexyl)-N'-(3-methylphenyl)oxamide
CID 124505061
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-methylphenyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3-methylphenyl)urea (CID 841579) is 1-cyclopropyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(3-methylphenyl)urea?
The InChIKey is NPZCGJTYHDBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-2-4-10(7-8)13-11(14)12-9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-(3-methylphenyl)urea?
1-cyclopropyl-3-(3-methylphenyl)urea has a molecular weight of 190.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methylphenyl)urea is sourced from PubChem (CID 841579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).