N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide

C17H18N2O3 — CID 4679398

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCOc1cccc(NC(=O)CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H18N2O3/c1-12-5-3-6-13(9-12)17(21)18-11-16(20)19-14-7-4-8-15(10-14)22-2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIMAKWRVQDUCMSH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 4679398) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
PubChem CID4679398
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCOc1cccc(NC(=O)CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H18N2O3/c1-12-5-3-6-13(9-12)17(21)18-11-16(20)19-14-7-4-8-15(10-14)22-2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIMAKWRVQDUCMSH-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363900
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide (CID 4679398) is N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide is COc1cccc(NC(=O)CNC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is IMAKWRVQDUCMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-5-3-6-13(9-12)17(21)18-11-16(20)19-14-7-4-8-15(10-14)22-2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 4679398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).