N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide

C19H22N2O3 — CID 17191376

IUPACN-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
SMILESCCOc1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-17-9-7-16(8-10-17)21-18(22)11-12-20-19(23)15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWQFCYXKRJDHCSQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds7

About N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide

N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide (PubChem CID 17191376) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
PubChem CID17191376
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
SMILESCCOc1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-17-9-7-16(8-10-17)21-18(22)11-12-20-19(23)15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyWQFCYXKRJDHCSQ-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide
CID 26852039
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
CID 17191568
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
3-[[2-(4-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54811015
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide (CID 17191376) is N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide is CCOc1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is WQFCYXKRJDHCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-24-17-9-7-16(8-10-17)21-18(22)11-12-20-19(23)15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide?
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 17191376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).