N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide

C20H23N3O3 — CID 173192249

IUPACN-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N(C)C(C=O)N(C)C)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-8-10-15(11-9-14)19(25)21-17-7-5-6-16(12-17)20(26)23(4)18(13-24)22(2)3/h5-13,18H,1-4H3,(H,21,25)
InChIKeyPKPXJIXBOYBCES-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.41
Rot. Bonds6

About N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide

N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide (PubChem CID 173192249) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide
PubChem CID173192249
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N(C)C(C=O)N(C)C)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-8-10-15(11-9-14)19(25)21-17-7-5-6-16(12-17)20(26)23(4)18(13-24)22(2)3/h5-13,18H,1-4H3,(H,21,25)
InChIKeyPKPXJIXBOYBCES-UHFFFAOYSA-N
XLogP2.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide 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

methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid
CID 173192241
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide
CID 46996402
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide (CID 173192249) is N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C(C=O)N(C)C)c2)cc1.
What is the InChIKey of N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is PKPXJIXBOYBCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-8-10-15(11-9-14)19(25)21-17-7-5-6-16(12-17)20(26)23(4)18(13-24)22(2)3/h5-13,18H,1-4H3,(H,21,25).
What are the key properties of N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide?
N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 173192249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).