N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide

C20H16N2O3 — CID 2340492

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H16N2O3/c23-19(16-11-13-5-1-4-8-18(13)25-20(16)24)21-10-9-14-12-22-17-7-3-2-6-15(14)17/h1-8,11-12,22H,9-10H2,(H,21,23)
InChIKeyDUDOVKSOMFTHKL-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.25
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 2340492) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID2340492
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H16N2O3/c23-19(16-11-13-5-1-4-8-18(13)25-20(16)24)21-10-9-14-12-22-17-7-3-2-6-15(14)17/h1-8,11-12,22H,9-10H2,(H,21,23)
InChIKeyDUDOVKSOMFTHKL-UHFFFAOYSA-N
XLogP3.25
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide (CID 2340492) is N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is DUDOVKSOMFTHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(16-11-13-5-1-4-8-18(13)25-20(16)24)21-10-9-14-12-22-17-7-3-2-6-15(14)17/h1-8,11-12,22H,9-10H2,(H,21,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2340492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).