1,1-bis(methylamino)-3-phenylurea

C9H14N4O — CID 54267679

IUPAC1,1-bis(methylamino)-3-phenylurea
SMILESCNN(NC)C(=O)Nc1ccccc1
InChIInChI=1S/C9H14N4O/c1-10-13(11-2)9(14)12-8-6-4-3-5-7-8/h3-7,10-11H,1-2H3,(H,12,14)
InChIKeyRHXDBOFUJLTINZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.79
Rot. Bonds3

About 1,1-bis(methylamino)-3-phenylurea

1,1-bis(methylamino)-3-phenylurea (PubChem CID 54267679) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,1-bis(methylamino)-3-phenylurea.

Molecular Properties

Compound Name1,1-bis(methylamino)-3-phenylurea
PubChem CID54267679
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1,1-bis(methylamino)-3-phenylurea
SMILESCNN(NC)C(=O)Nc1ccccc1
InChIInChI=1S/C9H14N4O/c1-10-13(11-2)9(14)12-8-6-4-3-5-7-8/h3-7,10-11H,1-2H3,(H,12,14)
InChIKeyRHXDBOFUJLTINZ-UHFFFAOYSA-N
XLogP0.79
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.79
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

1-chloro-1-methyl-3-phenylurea
CID 173170547
N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide
CID 12864691
1-amino-3-phenyl-1-propan-2-ylurea
CID 174763557
cobalt;N-phenylacetamide
CID 158689050
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
1-(ethylcarbamoyl)-1-methyl-3-phenylurea
CID 12876426
3-oxo-N-phenylbutanamide
CID 161275903
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
1-cyclohexyl-1-hydroxy-3-phenylurea
CID 86182203
N-[4-[phenylcarbamoyl(sulfanyl)amino]phenyl]acetamide
CID 57046607
ethane;N-phenylcarbamoyl chloride
CID 91362970

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methylamino)-3-phenylurea?
The IUPAC name of 1,1-bis(methylamino)-3-phenylurea (CID 54267679) is 1,1-bis(methylamino)-3-phenylurea.
What is the SMILES notation for 1,1-bis(methylamino)-3-phenylurea?
The canonical SMILES for 1,1-bis(methylamino)-3-phenylurea is CNN(NC)C(=O)Nc1ccccc1.
What is the InChIKey of 1,1-bis(methylamino)-3-phenylurea?
The InChIKey is RHXDBOFUJLTINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-10-13(11-2)9(14)12-8-6-4-3-5-7-8/h3-7,10-11H,1-2H3,(H,12,14).
What are the key properties of 1,1-bis(methylamino)-3-phenylurea?
1,1-bis(methylamino)-3-phenylurea has a molecular weight of 194.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methylamino)-3-phenylurea is sourced from PubChem (CID 54267679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).