N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide

C20H19N3O5 — CID 4082975

IUPACN-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1ccc(N(CN2CCCC2=O)C(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H19N3O5/c21-19(25)13-3-6-15(7-4-13)23(11-22-9-1-2-18(22)24)20(26)14-5-8-16-17(10-14)28-12-27-16/h3-8,10H,1-2,9,11-12H2,(H2,21,25)
InChIKeyYXUAWGVPTNZIAH-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.74
Rot. Bonds5

About N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 4082975) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID4082975
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1ccc(N(CN2CCCC2=O)C(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H19N3O5/c21-19(25)13-3-6-15(7-4-13)23(11-22-9-1-2-18(22)24)20(26)14-5-8-16-17(10-14)28-12-27-16/h3-8,10H,1-2,9,11-12H2,(H2,21,25)
InChIKeyYXUAWGVPTNZIAH-UHFFFAOYSA-N
XLogP1.74
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-oxopyrrolidin-1-yl)methyl-(2-phenylacetyl)amino]benzamide
CID 5179253
4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
CID 3429807
N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidin-2-one
CID 14127905
3,4-dimethoxy-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4256667
1,3-benzodioxole-5-carboxamide;benzoic acid
CID 175362662
1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione
CID 154718540
4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9036253

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 4082975) is N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide is NC(=O)c1ccc(N(CN2CCCC2=O)C(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YXUAWGVPTNZIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c21-19(25)13-3-6-15(7-4-13)23(11-22-9-1-2-18(22)24)20(26)14-5-8-16-17(10-14)28-12-27-16/h3-8,10H,1-2,9,11-12H2,(H2,21,25).
What are the key properties of N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 4082975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).