3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide

C18H19N3O3 — CID 909687

IUPAC3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
SMILESCCC(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-3-16(22)20-21-18(24)13-7-9-15(10-8-13)19-17(23)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyOHCFOHUCSZUUKL-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.42
Rot. Bonds4

About 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide

3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide (PubChem CID 909687) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
PubChem CID909687
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
SMILESCCC(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-3-16(22)20-21-18(24)13-7-9-15(10-8-13)19-17(23)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyOHCFOHUCSZUUKL-UHFFFAOYSA-N
XLogP2.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.42
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

3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3347368
ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17252370
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
CID 3347367
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-[4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17350309
3-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]benzamide
CID 26164336

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide (CID 909687) is 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide is CCC(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide?
The InChIKey is OHCFOHUCSZUUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-16(22)20-21-18(24)13-7-9-15(10-8-13)19-17(23)14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide?
3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 909687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).