N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide

C19H20N2O4 — CID 113062950

IUPACN-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c1-13-3-5-15(6-4-13)19(23)20-9-10-21(14(2)22)16-7-8-17-18(11-16)25-12-24-17/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyXTJLZFZUYKEWFK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.51
Rot. Bonds5

About N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide (PubChem CID 113062950) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
PubChem CID113062950
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c1-13-3-5-15(6-4-13)19(23)20-9-10-21(14(2)22)16-7-8-17-18(11-16)25-12-24-17/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyXTJLZFZUYKEWFK-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-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

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
CID 113062992
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113063065
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113062967
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113132842
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113063804
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
CID 113062939
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide (CID 113062950) is N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide?
The InChIKey is XTJLZFZUYKEWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-3-5-15(6-4-13)19(23)20-9-10-21(14(2)22)16-7-8-17-18(11-16)25-12-24-17/h3-8,11H,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide?
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 113062950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).