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

C17H18N2O3 — CID 2234244

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCOc1cccc(NC(=O)CNC(=O)c2ccccc2C)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-3-4-9-15(12)17(21)18-11-16(20)19-13-7-5-8-14(10-13)22-2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIYTGJTQYKVBAOH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.37
Rot. Bonds5

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

N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 2234244) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
PubChem CID2234244
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCOc1cccc(NC(=O)CNC(=O)c2ccccc2C)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-3-4-9-15(12)17(21)18-11-16(20)19-13-7-5-8-14(10-13)22-2/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyIYTGJTQYKVBAOH-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-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-[[4-ethyl-1-[2-(3-methoxyanilino)-2-oxoethyl]-5-sulfanylidene-1,2,4-triazol-3-yl]methyl]-2-methylbenzamide
CID 126162398
N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 112998618
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide (CID 2234244) is N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide is COc1cccc(NC(=O)CNC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is IYTGJTQYKVBAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-6-3-4-9-15(12)17(21)18-11-16(20)19-13-7-5-8-14(10-13)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]-2-methylbenzamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 2234244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).