N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide

C18H20N2O3 — CID 27167538

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H20N2O3/c1-12-7-8-14(9-13(12)2)18(22)19-11-17(21)20-15-5-4-6-16(10-15)23-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFOTCNHKJOFSLEJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 27167538) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID27167538
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H20N2O3/c1-12-7-8-14(9-13(12)2)18(22)19-11-17(21)20-15-5-4-6-16(10-15)23-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyFOTCNHKJOFSLEJ-UHFFFAOYSA-N
XLogP2.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9418791
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
CID 2234244
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 27167538) is N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide is COc1cccc(NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is FOTCNHKJOFSLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-7-8-14(9-13(12)2)18(22)19-11-17(21)20-15-5-4-6-16(10-15)23-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.68, 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 27167538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).