N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide

C18H20N2O4 — CID 3503389

IUPACN-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O4/c1-12-5-4-6-13(9-12)18(22)19-11-17(21)20-15-10-14(23-2)7-8-16(15)24-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyIAGKBLIXPWDQIR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide

N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 3503389) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
PubChem CID3503389
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O4/c1-12-5-4-6-13(9-12)18(22)19-11-17(21)20-15-10-14(23-2)7-8-16(15)24-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyIAGKBLIXPWDQIR-UHFFFAOYSA-N
XLogP2.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8884745
N-[3-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906799
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-phenylmethoxybenzamide
CID 46551015
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112999205
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 9496139
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide (CID 3503389) is N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide is COc1ccc(OC)c(NC(=O)CNC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is IAGKBLIXPWDQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-5-4-6-13(9-12)18(22)19-11-17(21)20-15-10-14(23-2)7-8-16(15)24-3/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide?
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 3503389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).