1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea

C16H18N4O2 — CID 847412

IUPAC1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea
SMILESCN(C)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N4O2/c1-20(2)14-10-8-12(9-11-14)15(21)18-19-16(22)17-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)(H2,17,19,22)
InChIKeyPWGGCQUHKBRDNY-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.22
Rot. Bonds3

About 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea

1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea (PubChem CID 847412) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea
PubChem CID847412
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea
SMILESCN(C)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N4O2/c1-20(2)14-10-8-12(9-11-14)15(21)18-19-16(22)17-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)(H2,17,19,22)
InChIKeyPWGGCQUHKBRDNY-UHFFFAOYSA-N
XLogP2.22
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Diethylamino)benzohydrazide
CID 2063864
p-(Dimethylamino)benzohydrazide
CID 88019
1-Benzoyl-4-phenyl-3-thiosemicarbazide
CID 735919
N'-butyl-4-(dimethylamino)benzohydrazide
CID 71306440
N-phenyl-2-(3-phenylpropanoyl)hydrazinecarboxamide
CID 730631
N'1-(4-chlorobenzoyl)-4-(dimethylamino)benzene-1-carbohydrazide
CID 2803312
4-[(anilinocarbonyl)amino]-N-methylbenzamide
CID 726388
Antipyrine, 4-(p-aminobenzamido)-(6CI,7CI)
CID 212783
N-{[(4-acetylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11463026
N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide
CID 117094795
N-[4-(2-Hydrazinylethyl)phenyl]benzamide dihydrochloride salt (12a)
CID 77014300
N-(4-{[2-(3-methylbenzoyl)hydrazino]carbonyl}phenyl)acetamide
CID 815559

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea?
The IUPAC name of 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea (CID 847412) is 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea is CN(C)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea?
The InChIKey is PWGGCQUHKBRDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(2)14-10-8-12(9-11-14)15(21)18-19-16(22)17-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,21)(H2,17,19,22).
What are the key properties of 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea?
1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea has a molecular weight of 298.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)benzoyl]amino]-3-phenylurea is sourced from PubChem (CID 847412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).