N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C19H19N3O4 — CID 55790801

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(NC(=O)c1cccc(N2CCNC2=O)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O4/c1-12(13-5-6-16-17(10-13)26-11-25-16)21-18(23)14-3-2-4-15(9-14)22-8-7-20-19(22)24/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyXKHAJBYQUJXELA-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 55790801) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID55790801
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCC(NC(=O)c1cccc(N2CCNC2=O)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O4/c1-12(13-5-6-16-17(10-13)26-11-25-16)21-18(23)14-3-2-4-15(9-14)22-8-7-20-19(22)24/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyXKHAJBYQUJXELA-UHFFFAOYSA-N
XLogP2.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)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-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyanobenzamide
CID 18143433
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 125442654
N-[(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 125160802
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 51323882
methyl 3-(4-fluorophenyl)-3-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoate
CID 55997635
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18591757
3-[(4aR,8aS)-1,4-dioxo-4a,5,8,8a-tetrahydro-3H-phthalazin-2-yl]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 100834620
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299247
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18143617
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 119348696
3-chloro-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 94070209

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 55790801) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is CC(NC(=O)c1cccc(N2CCNC2=O)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is XKHAJBYQUJXELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(13-5-6-16-17(10-13)26-11-25-16)21-18(23)14-3-2-4-15(9-14)22-8-7-20-19(22)24/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55790801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).