N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide

C18H16N2O4 — CID 2809943

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C18H16N2O4/c1-22-13-3-4-14-12(7-13)8-15(20-14)18(21)19-9-11-2-5-16-17(6-11)24-10-23-16/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyYTNRTJDRFDHHSV-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.84
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide (PubChem CID 2809943) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide
PubChem CID2809943
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C18H16N2O4/c1-22-13-3-4-14-12(7-13)8-15(20-14)18(21)19-9-11-2-5-16-17(6-11)24-10-23-16/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyYTNRTJDRFDHHSV-UHFFFAOYSA-N
XLogP2.84
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4687521
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D-64131
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Bis(1H-2-indolyl)methanone 11
CID 5330527
(3-hydroxypyrrolidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
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azepan-1-yl(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide (CID 2809943) is N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is YTNRTJDRFDHHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-13-3-4-14-12(7-13)8-15(20-14)18(21)19-9-11-2-5-16-17(6-11)24-10-23-16/h2-8,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 2809943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).