N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide

C18H19NO3 — CID 2811298

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H19NO3/c1-2-3-13-4-7-15(8-5-13)18(20)19-11-14-6-9-16-17(10-14)22-12-21-16/h4-10H,2-3,11-12H2,1H3,(H,19,20)
InChIKeyWMARTLDGKMGEIL-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.30
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide (PubChem CID 2811298) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
PubChem CID2811298
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H19NO3/c1-2-3-13-4-7-15(8-5-13)18(20)19-11-14-6-9-16-17(10-14)22-12-21-16/h4-10H,2-3,11-12H2,1H3,(H,19,20)
InChIKeyWMARTLDGKMGEIL-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-heptylbenzamide
CID 5104901
N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]methyl]benzamide
CID 171432416
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109047459
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-(1,3-benzodioxol-5-ylmethyl)-4-nitrobenzamide
CID 758504
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047465
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 9035628

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide (CID 2811298) is N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide is CCCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide?
The InChIKey is WMARTLDGKMGEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-3-13-4-7-15(8-5-13)18(20)19-11-14-6-9-16-17(10-14)22-12-21-16/h4-10H,2-3,11-12H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide has a molecular weight of 297.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide is sourced from PubChem (CID 2811298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).