3,5-dimethoxy-N-(2-oxopropyl)benzamide

C12H15NO4 — CID 64996551

IUPAC3,5-dimethoxy-N-(2-oxopropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)=O)c1
InChIInChI=1S/C12H15NO4/c1-8(14)7-13-12(15)9-4-10(16-2)6-11(5-9)17-3/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyAJIAIDREPANHSP-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.02
Rot. Bonds5

About 3,5-dimethoxy-N-(2-oxopropyl)benzamide

3,5-dimethoxy-N-(2-oxopropyl)benzamide (PubChem CID 64996551) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-oxopropyl)benzamide
PubChem CID64996551
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3,5-dimethoxy-N-(2-oxopropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(C)=O)c1
InChIInChI=1S/C12H15NO4/c1-8(14)7-13-12(15)9-4-10(16-2)6-11(5-9)17-3/h4-6H,7H2,1-3H3,(H,13,15)
InChIKeyAJIAIDREPANHSP-UHFFFAOYSA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethoxy-N-(2-oxopropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
CID 18162820
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232
3,5-dimethoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513841
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2-oxopropyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-oxopropyl)benzamide (CID 64996551) is 3,5-dimethoxy-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-oxopropyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-oxopropyl)benzamide is COc1cc(OC)cc(C(=O)NCC(C)=O)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2-oxopropyl)benzamide?
The InChIKey is AJIAIDREPANHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(14)7-13-12(15)9-4-10(16-2)6-11(5-9)17-3/h4-6H,7H2,1-3H3,(H,13,15).
What are the key properties of 3,5-dimethoxy-N-(2-oxopropyl)benzamide?
3,5-dimethoxy-N-(2-oxopropyl)benzamide has a molecular weight of 237.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 64996551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).