4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide

C19H22N2O4 — CID 87001806

IUPAC4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-20-19(23)14-7-10-17(25-3)16(12-14)21-18(22)11-6-13-4-8-15(24-2)9-5-13/h4-5,7-10,12H,6,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyQDHDZWLYWKHYPN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.63
Rot. Bonds7

About 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide

4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide (PubChem CID 87001806) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
PubChem CID87001806
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-20-19(23)14-7-10-17(25-3)16(12-14)21-18(22)11-6-13-4-8-15(24-2)9-5-13/h4-5,7-10,12H,6,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyQDHDZWLYWKHYPN-UHFFFAOYSA-N
XLogP2.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87001782
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003158
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643093
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide (CID 87001806) is 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(OC)c(NC(=O)CCc2ccc(OC)cc2)c1.
What is the InChIKey of 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide?
The InChIKey is QDHDZWLYWKHYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-20-19(23)14-7-10-17(25-3)16(12-14)21-18(22)11-6-13-4-8-15(24-2)9-5-13/h4-5,7-10,12H,6,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide?
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 87001806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).