4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide

C18H19N3O3 — CID 108874660

IUPAC4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide
SMILESCc1ccc(C(=O)CCNC(=O)NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-12-2-4-13(5-3-12)16(22)10-11-20-18(24)21-17(23)14-6-8-15(19)9-7-14/h2-9H,10-11,19H2,1H3,(H2,20,21,23,24)
InChIKeyVIFXQLTWOCMDSU-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.29
Rot. Bonds5

About 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide

4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide (PubChem CID 108874660) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide
PubChem CID108874660
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide
SMILESCc1ccc(C(=O)CCNC(=O)NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-12-2-4-13(5-3-12)16(22)10-11-20-18(24)21-17(23)14-6-8-15(19)9-7-14/h2-9H,10-11,19H2,1H3,(H2,20,21,23,24)
InChIKeyVIFXQLTWOCMDSU-UHFFFAOYSA-N
XLogP2.29
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-methylpropylcarbamoyl)benzamide
CID 108867331
1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874734
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874536
1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874595
1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874450
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
1-[3-(4-methylphenyl)-3-oxopropyl]-3-(pyridin-4-ylmethyl)urea
CID 108874547
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
CID 108900107
1-(2,2-diethoxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874774

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide?
The IUPAC name of 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide (CID 108874660) is 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide.
What is the SMILES notation for 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide?
The canonical SMILES for 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide is Cc1ccc(C(=O)CCNC(=O)NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide?
The InChIKey is VIFXQLTWOCMDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-2-4-13(5-3-12)16(22)10-11-20-18(24)21-17(23)14-6-8-15(19)9-7-14/h2-9H,10-11,19H2,1H3,(H2,20,21,23,24).
What are the key properties of 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide?
4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide is sourced from PubChem (CID 108874660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).