3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea

C15H22N2O — CID 54531853

IUPAC3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea
SMILESCc1cccc(N(CC(C)C)C(=O)NC2CC2)c1
InChIInChI=1S/C15H22N2O/c1-11(2)10-17(15(18)16-13-7-8-13)14-6-4-5-12(3)9-14/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyYXCLGUQZWNMGNC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.33
Rot. Bonds4

About 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea

3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea (PubChem CID 54531853) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea
PubChem CID54531853
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea
SMILESCc1cccc(N(CC(C)C)C(=O)NC2CC2)c1
InChIInChI=1S/C15H22N2O/c1-11(2)10-17(15(18)16-13-7-8-13)14-6-4-5-12(3)9-14/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyYXCLGUQZWNMGNC-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
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N-(cyclopentylcarbamoyl)-N-(3-methylphenyl)acetamide
CID 86239895
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea?
The IUPAC name of 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea (CID 54531853) is 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea?
The canonical SMILES for 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea is Cc1cccc(N(CC(C)C)C(=O)NC2CC2)c1.
What is the InChIKey of 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea?
The InChIKey is YXCLGUQZWNMGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)10-17(15(18)16-13-7-8-13)14-6-4-5-12(3)9-14/h4-6,9,11,13H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea?
3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 54531853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).