1-(N-carbamoylanilino)-1-methyl-3-phenylurea

C15H16N4O2 — CID 57010745

IUPAC1-(N-carbamoylanilino)-1-methyl-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)N(C(N)=O)c1ccccc1
InChIInChI=1S/C15H16N4O2/c1-18(15(21)17-12-8-4-2-5-9-12)19(14(16)20)13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,20)(H,17,21)
InChIKeyPKBLPUWKPDDRQM-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.65
Rot. Bonds2

About 1-(N-carbamoylanilino)-1-methyl-3-phenylurea

1-(N-carbamoylanilino)-1-methyl-3-phenylurea (PubChem CID 57010745) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(N-carbamoylanilino)-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-(N-carbamoylanilino)-1-methyl-3-phenylurea
PubChem CID57010745
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(N-carbamoylanilino)-1-methyl-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)N(C(N)=O)c1ccccc1
InChIInChI=1S/C15H16N4O2/c1-18(15(21)17-12-8-4-2-5-9-12)19(14(16)20)13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,20)(H,17,21)
InChIKeyPKBLPUWKPDDRQM-UHFFFAOYSA-N
XLogP2.65
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(N-carbamoylanilino)-1-methyl-3-phenylurea 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

1-chloro-1-methyl-3-phenylurea
CID 173170547
1-amino-3-phenyl-1-propan-2-ylurea
CID 174763557
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
1-methyl-1-(N-methylanilino)urea
CID 154254582
N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
1,1-bis(methylamino)-3-phenylurea
CID 54267679
1-(dimethylamino)-1,3-diphenylthiourea
CID 174700414
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
1,3-dimethyl-1-[N-(phenylcarbamothioyl)anilino]thiourea
CID 88817673
1-(aminosulfanylmethyl)-1,3-diphenylurea
CID 90925999
1,3-diphenyl-1-triethylsilylurea
CID 21314542

Frequently Asked Questions

What is the IUPAC name of 1-(N-carbamoylanilino)-1-methyl-3-phenylurea?
The IUPAC name of 1-(N-carbamoylanilino)-1-methyl-3-phenylurea (CID 57010745) is 1-(N-carbamoylanilino)-1-methyl-3-phenylurea.
What is the SMILES notation for 1-(N-carbamoylanilino)-1-methyl-3-phenylurea?
The canonical SMILES for 1-(N-carbamoylanilino)-1-methyl-3-phenylurea is CN(C(=O)Nc1ccccc1)N(C(N)=O)c1ccccc1.
What is the InChIKey of 1-(N-carbamoylanilino)-1-methyl-3-phenylurea?
The InChIKey is PKBLPUWKPDDRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-18(15(21)17-12-8-4-2-5-9-12)19(14(16)20)13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,20)(H,17,21).
What are the key properties of 1-(N-carbamoylanilino)-1-methyl-3-phenylurea?
1-(N-carbamoylanilino)-1-methyl-3-phenylurea has a molecular weight of 284.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-carbamoylanilino)-1-methyl-3-phenylurea is sourced from PubChem (CID 57010745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).