N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C20H20N4O5 — CID 9477764

IUPACN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C20H20N4O5/c1-2-9-23-14-5-3-4-6-15(14)24(20(23)27)11-18(25)22-19(26)21-13-7-8-16-17(10-13)29-12-28-16/h3-8,10H,2,9,11-12H2,1H3,(H2,21,22,25,26)
InChIKeyVIGUIWUVYJRAAS-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.29
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 9477764) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID9477764
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C20H20N4O5/c1-2-9-23-14-5-3-4-6-15(14)24(20(23)27)11-18(25)22-19(26)21-13-7-8-16-17(10-13)29-12-28-16/h3-8,10H,2,9,11-12H2,1H3,(H2,21,22,25,26)
InChIKeyVIGUIWUVYJRAAS-UHFFFAOYSA-N
XLogP2.29
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 9248269
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 17395792
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
2-[4-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763301
1-(1,3-benzodioxol-5-yl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 23609356
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 9380353
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46643858
N-(1,3-benzodioxol-5-yl)-2-[3-[(Z)-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-ylidene)methyl]-2-methylindol-1-yl]acetamide
CID 126356677
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835967
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 9477764) is N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is VIGUIWUVYJRAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-2-9-23-14-5-3-4-6-15(14)24(20(23)27)11-18(25)22-19(26)21-13-7-8-16-17(10-13)29-12-28-16/h3-8,10H,2,9,11-12H2,1H3,(H2,21,22,25,26).
What are the key properties of N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 396.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 9477764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).