N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide

C24H24N2O2 — CID 18090249

IUPACN-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-19-10-8-9-15-22(19)24(28)25-17-16-23(27)26(21-13-6-3-7-14-21)18-20-11-4-2-5-12-20/h2-15H,16-18H2,1H3,(H,25,28)
InChIKeyZTHYRPGVHMKRKW-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.35
Rot. Bonds7

About N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide

N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide (PubChem CID 18090249) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
PubChem CID18090249
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-19-10-8-9-15-22(19)24(28)25-17-16-23(27)26(21-13-6-3-7-14-21)18-20-11-4-2-5-12-20/h2-15H,16-18H2,1H3,(H,25,28)
InChIKeyZTHYRPGVHMKRKW-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51183578
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
N-[2-[benzyl(propyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51186348
2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 24503498
N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 113000349
N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8533527
2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 55549814
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide (CID 18090249) is N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide?
The InChIKey is ZTHYRPGVHMKRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-19-10-8-9-15-22(19)24(28)25-17-16-23(27)26(21-13-6-3-7-14-21)18-20-11-4-2-5-12-20/h2-15H,16-18H2,1H3,(H,25,28).
What are the key properties of N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide?
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 18090249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).