N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide

C19H22N2O4 — CID 27256468

IUPACN-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCCc1cccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H22N2O4/c1-4-13-6-5-7-15(10-13)21-18(22)12-20-19(23)14-8-9-16(24-2)17(11-14)25-3/h5-11H,4,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyPGNRTRZUKQWIIW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 27256468) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID27256468
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCCc1cccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H22N2O4/c1-4-13-6-5-7-15(10-13)21-18(22)12-20-19(23)14-8-9-16(24-2)17(11-14)25-3/h5-11H,4,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyPGNRTRZUKQWIIW-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

Analyze N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide 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-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55947983
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 108923849
3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 55834639
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842372
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27648546
3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide (CID 27256468) is N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide is CCc1cccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is PGNRTRZUKQWIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-13-6-5-7-15(10-13)21-18(22)12-20-19(23)14-8-9-16(24-2)17(11-14)25-3/h5-11H,4,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide 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 N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 27256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).