N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide

C19H22N2O5 — CID 28918895

IUPACN-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccc(OC)c(NC(=O)CCNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C19H22N2O5/c1-24-13-8-9-17(26-3)15(12-13)21-18(22)10-11-20-19(23)14-6-4-5-7-16(14)25-2/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyFMVFYPMDWXDMBQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.47
Rot. Bonds8

About N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide

N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide (PubChem CID 28918895) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
PubChem CID28918895
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccc(OC)c(NC(=O)CCNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C19H22N2O5/c1-24-13-8-9-17(26-3)15(12-13)21-18(22)10-11-20-19(23)14-6-4-5-7-16(14)25-2/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyFMVFYPMDWXDMBQ-UHFFFAOYSA-N
XLogP2.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827506
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 28918889
N-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110422934
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 46793493
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
2-methylpropyl N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]carbamate
CID 126008366
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide (CID 28918895) is N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide is COc1ccc(OC)c(NC(=O)CCNC(=O)c2ccccc2OC)c1.
What is the InChIKey of N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is FMVFYPMDWXDMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-13-8-9-17(26-3)15(12-13)21-18(22)10-11-20-19(23)14-6-4-5-7-16(14)25-2/h4-9,12H,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide?
N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 358.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 28918895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).