N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide

C23H22N2O2 — CID 9494059

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-8-14-21(15-9-17)24-22(26)16-25(2)23(27)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyHKDSSKIWOOUKMO-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.37
Rot. Bonds5

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide (PubChem CID 9494059) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
PubChem CID9494059
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-8-14-21(15-9-17)24-22(26)16-25(2)23(27)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyHKDSSKIWOOUKMO-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-phenylbenzamide
CID 55339888
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 2520530
tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9374645
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
N-[2-(4-benzylsulfanylanilino)-2-oxoethyl]-4-fluoro-N-methylbenzamide;toluene
CID 156652583
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-(3-methylbutoxy)benzamide
CID 4030783
N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 38005582
N-methyl-N-[2-oxo-2-[4-(1-phenylethylamino)anilino]ethyl]benzamide
CID 48500520
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide (CID 9494059) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is HKDSSKIWOOUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-8-14-21(15-9-17)24-22(26)16-25(2)23(27)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,24,26).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 358.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 9494059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).