N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

C18H18N2O4 — CID 6457856

IUPACN-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O4/c1-2-9-19-18(22)13-5-3-4-6-14(13)20-17(21)12-7-8-15-16(10-12)24-11-23-15/h3-8,10H,2,9,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyIQRGIACNRRFKSI-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 6457856) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID6457856
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O4/c1-2-9-19-18(22)13-5-3-4-6-14(13)20-17(21)12-7-8-15-16(10-12)24-11-23-15/h3-8,10H,2,9,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyIQRGIACNRRFKSI-UHFFFAOYSA-N
XLogP2.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylbenzoyl)amino]benzamide
CID 8873844
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
N-[2-(2-phenylethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18278681
N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 26897998
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849
N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575
N-[2-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 34751154
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 6457856) is N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IQRGIACNRRFKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-9-19-18(22)13-5-3-4-6-14(13)20-17(21)12-7-8-15-16(10-12)24-11-23-15/h3-8,10H,2,9,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 6457856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).