N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide

C19H18N2O3 — CID 2521776

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O3/c22-19(8-6-14-11-20-16-4-2-1-3-15(14)16)21-10-13-5-7-17-18(9-13)24-12-23-17/h1-5,7,9,11,20H,6,8,10,12H2,(H,21,22)
InChIKeyZIAHNMOJZXKEQF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.15
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 2521776) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
PubChem CID2521776
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H18N2O3/c22-19(8-6-14-11-20-16-4-2-1-3-15(14)16)21-10-13-5-7-17-18(9-13)24-12-23-17/h1-5,7,9,11,20H,6,8,10,12H2,(H,21,22)
InChIKeyZIAHNMOJZXKEQF-UHFFFAOYSA-N
XLogP3.15
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide (CID 2521776) is N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is ZIAHNMOJZXKEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(8-6-14-11-20-16-4-2-1-3-15(14)16)21-10-13-5-7-17-18(9-13)24-12-23-17/h1-5,7,9,11,20H,6,8,10,12H2,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 2521776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).