2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide

C18H20N2O4 — CID 175148764

IUPAC2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1N(C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O4/c1-12(21)20(13-9-10-16(23-3)17(11-13)24-4)15-8-6-5-7-14(15)18(22)19-2/h5-11H,1-4H3,(H,19,22)
InChIKeyICXJHCCLNWMQPA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.75
Rot. Bonds5

About 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide

2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide (PubChem CID 175148764) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide
PubChem CID175148764
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1N(C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20N2O4/c1-12(21)20(13-9-10-16(23-3)17(11-13)24-4)15-8-6-5-7-14(15)18(22)19-2/h5-11H,1-4H3,(H,19,22)
InChIKeyICXJHCCLNWMQPA-UHFFFAOYSA-N
XLogP2.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide 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

methyl 4-(N-acetyl-2-methoxyanilino)benzoate
CID 59092831
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-(2,4-dimethoxyphenyl)-N-phenylacetamide
CID 101328675
(Z)-but-2-ene;2-methoxy-N-methylbenzamide
CID 144547446
methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate
CID 139838408
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
2-(2-methoxy-N-pyrimidin-4-ylanilino)-N-methylbenzamide
CID 174930703
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
3-[2-(dimethylamino)phenyl]-4-methoxy-N-methylbenzamide
CID 119069642
N-(2-methoxyphenyl)acetohydrazide
CID 14966200
N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide
CID 18763422
2-methoxy-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 58730700

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide (CID 175148764) is 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide is CNC(=O)c1ccccc1N(C(C)=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide?
The InChIKey is ICXJHCCLNWMQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(21)20(13-9-10-16(23-3)17(11-13)24-4)15-8-6-5-7-14(15)18(22)19-2/h5-11H,1-4H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide?
2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethoxyanilino)-N-methylbenzamide is sourced from PubChem (CID 175148764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).