N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide

C17H17N3O3 — CID 12864691

IUPACN'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide
SMILESCN(C(=O)CC(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O3/c1-20(17(23)19-14-10-6-3-7-11-14)16(22)12-15(21)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,21)(H,19,23)
InChIKeyWOWMZIZHGZTATI-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.71
Rot. Bonds4

About N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide

N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide (PubChem CID 12864691) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide.

Molecular Properties

Compound NameN'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide
PubChem CID12864691
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide
SMILESCN(C(=O)CC(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O3/c1-20(17(23)19-14-10-6-3-7-11-14)16(22)12-15(21)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,21)(H,19,23)
InChIKeyWOWMZIZHGZTATI-UHFFFAOYSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
1-(ethylcarbamoyl)-1-methyl-3-phenylurea
CID 12876426
3-oxo-N-phenylbutanamide
CID 161275903
1,1-bis(methylamino)-3-phenylurea
CID 54267679
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
1-chloro-1-methyl-3-phenylurea
CID 173170547
ethyl 3-anilino-3-oxopropanoate
CID 3016808
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
N'-hydroxy-N-phenylpropanediamide
CID 20721653
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide?
The IUPAC name of N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide (CID 12864691) is N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide.
What is the SMILES notation for N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide?
The canonical SMILES for N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide is CN(C(=O)CC(=O)Nc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide?
The InChIKey is WOWMZIZHGZTATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20(17(23)19-14-10-6-3-7-11-14)16(22)12-15(21)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide?
N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide has a molecular weight of 311.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide is sourced from PubChem (CID 12864691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).