1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea

C19H20N4O3 — CID 55882970

IUPAC1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C19H20N4O3/c1-12-5-2-3-8-16(12)18(25)23-22-17(24)13-6-4-7-15(11-13)21-19(26)20-14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H,22,24)(H,23,25)(H2,20,21,26)
InChIKeySUFMYYNSPAMOED-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.35
Rot. Bonds4

About 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea

1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea (PubChem CID 55882970) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea
PubChem CID55882970
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C19H20N4O3/c1-12-5-2-3-8-16(12)18(25)23-22-17(24)13-6-4-7-15(11-13)21-19(26)20-14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H,22,24)(H,23,25)(H2,20,21,26)
InChIKeySUFMYYNSPAMOED-UHFFFAOYSA-N
XLogP2.35
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-cyclopropyl-3-(3-methylphenyl)urea
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CID 60527660
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 55914786
2-[[3-(cyclopropylcarbamoylamino)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546278
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea
CID 46429431

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea (CID 55882970) is 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea is Cc1ccccc1C(=O)NNC(=O)c1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea?
The InChIKey is SUFMYYNSPAMOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-5-2-3-8-16(12)18(25)23-22-17(24)13-6-4-7-15(11-13)21-19(26)20-14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H,22,24)(H,23,25)(H2,20,21,26).
What are the key properties of 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea?
1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea has a molecular weight of 352.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]urea is sourced from PubChem (CID 55882970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).