1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea

C17H24N4O2 — CID 47053336

IUPAC1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
SMILESCc1ccc(NC(=O)N(C)C2CC2)cc1NC(=O)N(C)C1CC1
InChIInChI=1S/C17H24N4O2/c1-11-4-5-12(18-16(22)20(2)13-6-7-13)10-15(11)19-17(23)21(3)14-8-9-14/h4-5,10,13-14H,6-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyXGIAIWFBUPHYML-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.25
Rot. Bonds4

About 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea

1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea (PubChem CID 47053336) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
PubChem CID47053336
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
SMILESCc1ccc(NC(=O)N(C)C2CC2)cc1NC(=O)N(C)C1CC1
InChIInChI=1S/C17H24N4O2/c1-11-4-5-12(18-16(22)20(2)13-6-7-13)10-15(11)19-17(23)21(3)14-8-9-14/h4-5,10,13-14H,6-9H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyXGIAIWFBUPHYML-UHFFFAOYSA-N
XLogP3.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
1-cyclohexyl-3-[3-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-4-methylphenyl]-1-propan-2-ylurea
CID 5062915
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3-chloro-4-methylphenyl)-1-methylurea
CID 61231067
4-[5-(dimethylcarbamoylamino)-2-methylanilino]cyclohexane-1-carboxylic acid
CID 122033861
4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 115296693
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea?
The IUPAC name of 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea (CID 47053336) is 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea.
What is the SMILES notation for 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea?
The canonical SMILES for 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea is Cc1ccc(NC(=O)N(C)C2CC2)cc1NC(=O)N(C)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea?
The InChIKey is XGIAIWFBUPHYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-4-5-12(18-16(22)20(2)13-6-7-13)10-15(11)19-17(23)21(3)14-8-9-14/h4-5,10,13-14H,6-9H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea?
1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea has a molecular weight of 316.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea is sourced from PubChem (CID 47053336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).