1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea

C16H24N2O — CID 47031749

IUPAC1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea
SMILESCc1ccc(C)c(NC(=O)N(CC(C)C)C2CC2)c1
InChIInChI=1S/C16H24N2O/c1-11(2)10-18(14-7-8-14)16(19)17-15-9-12(3)5-6-13(15)4/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyWOKUMNBYYTXTRX-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.96
Rot. Bonds4

About 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea

1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea (PubChem CID 47031749) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea
PubChem CID47031749
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea
SMILESCc1ccc(C)c(NC(=O)N(CC(C)C)C2CC2)c1
InChIInChI=1S/C16H24N2O/c1-11(2)10-18(14-7-8-14)16(19)17-15-9-12(3)5-6-13(15)4/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,17,19)
InChIKeyWOKUMNBYYTXTRX-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62949238
2-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 122083115
3-[acetyl(2-methylpropyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116007
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61452697
1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
CID 47053336
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea (CID 47031749) is 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea is Cc1ccc(C)c(NC(=O)N(CC(C)C)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea?
The InChIKey is WOKUMNBYYTXTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)10-18(14-7-8-14)16(19)17-15-9-12(3)5-6-13(15)4/h5-6,9,11,14H,7-8,10H2,1-4H3,(H,17,19).
What are the key properties of 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea?
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea has a molecular weight of 260.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-dimethylphenyl)-1-(2-methylpropyl)urea is sourced from PubChem (CID 47031749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).