1-methyl-3-[(4-methylbenzoyl)amino]urea

C10H13N3O2 — CID 3271870

IUPAC1-methyl-3-[(4-methylbenzoyl)amino]urea
SMILESCNC(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13N3O2/c1-7-3-5-8(6-4-7)9(14)12-13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeyWHQSWNPBJRLDQO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.57
Rot. Bonds1

About 1-methyl-3-[(4-methylbenzoyl)amino]urea

1-methyl-3-[(4-methylbenzoyl)amino]urea (PubChem CID 3271870) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-methyl-3-[(4-methylbenzoyl)amino]urea
PubChem CID3271870
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-methyl-3-[(4-methylbenzoyl)amino]urea
SMILESCNC(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C10H13N3O2/c1-7-3-5-8(6-4-7)9(14)12-13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeyWHQSWNPBJRLDQO-UHFFFAOYSA-N
XLogP0.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromoacetyl)-4-methylbenzohydrazide
CID 54560868
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
(Z)-3-methyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 2146278
4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide
CID 23531486
N-tert-butyl-2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108505
(4-methylbenzoyl)carbamic acid
CID 89120559
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
CID 143418770
2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46583938

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylbenzoyl)amino]urea?
The IUPAC name of 1-methyl-3-[(4-methylbenzoyl)amino]urea (CID 3271870) is 1-methyl-3-[(4-methylbenzoyl)amino]urea.
What is the SMILES notation for 1-methyl-3-[(4-methylbenzoyl)amino]urea?
The canonical SMILES for 1-methyl-3-[(4-methylbenzoyl)amino]urea is CNC(=O)NNC(=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-3-[(4-methylbenzoyl)amino]urea?
The InChIKey is WHQSWNPBJRLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-3-5-8(6-4-7)9(14)12-13-10(15)11-2/h3-6H,1-2H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-methyl-3-[(4-methylbenzoyl)amino]urea?
1-methyl-3-[(4-methylbenzoyl)amino]urea has a molecular weight of 207.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylbenzoyl)amino]urea is sourced from PubChem (CID 3271870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).