N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C19H18N2O3 — CID 2990793

IUPACN-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C19H18N2O3/c1-12-2-4-16-15(8-12)14(10-21-16)6-7-20-19(22)13-3-5-17-18(9-13)24-11-23-17/h2-5,8-10,21H,6-7,11H2,1H3,(H,20,22)
InChIKeyJEJFWWNDVYULIT-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 2990793) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID2990793
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C19H18N2O3/c1-12-2-4-16-15(8-12)14(10-21-16)6-7-20-19(22)13-3-5-17-18(9-13)24-11-23-17/h2-5,8-10,21H,6-7,11H2,1H3,(H,20,22)
InChIKeyJEJFWWNDVYULIT-UHFFFAOYSA-N
XLogP3.18
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 2990793) is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc2[nH]cc(CCNC(=O)c3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JEJFWWNDVYULIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-2-4-16-15(8-12)14(10-21-16)6-7-20-19(22)13-3-5-17-18(9-13)24-11-23-17/h2-5,8-10,21H,6-7,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2990793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).