1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea

C16H18N4O2 — CID 54178073

IUPAC1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
SMILESCc1ccc(NC(=O)NNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N4O2/c1-11-3-7-13(8-4-11)17-15(21)19-20-16(22)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,17,19,21)(H2,18,20,22)
InChIKeyOZVPDFJRPGXJOY-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.16
Rot. Bonds2

About 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea

1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea (PubChem CID 54178073) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
PubChem CID54178073
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
SMILESCc1ccc(NC(=O)NNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H18N4O2/c1-11-3-7-13(8-4-11)17-15(21)19-20-16(22)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,17,19,21)(H2,18,20,22)
InChIKeyOZVPDFJRPGXJOY-UHFFFAOYSA-N
XLogP3.16
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea
CID 832889
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N-(4-methylphenyl)acetamide
CID 7684
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(4-methylphenyl)-3-[(3,4,5-trihydroxybenzoyl)amino]urea
CID 170554757
trimethyl-[(4-methylphenyl)carbamoylamino]azanium
CID 134109961
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea (CID 54178073) is 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea is Cc1ccc(NC(=O)NNC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea?
The InChIKey is OZVPDFJRPGXJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-3-7-13(8-4-11)17-15(21)19-20-16(22)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,17,19,21)(H2,18,20,22).
What are the key properties of 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea?
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea has a molecular weight of 298.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea is sourced from PubChem (CID 54178073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).