N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide

C21H18N2O3 — CID 166232631

IUPACN-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide
SMILESCCN(Cc1ccc2[nH]ccc2c1)C(=O)c1ccc2c(=O)ccoc2c1
InChIInChI=1S/C21H18N2O3/c1-2-23(13-14-3-6-18-15(11-14)7-9-22-18)21(25)16-4-5-17-19(24)8-10-26-20(17)12-16/h3-12,22H,2,13H2,1H3
InChIKeyODCSVZDHFIEAKL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.94
Rot. Bonds4

About N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide

N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide (PubChem CID 166232631) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide
PubChem CID166232631
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide
SMILESCCN(Cc1ccc2[nH]ccc2c1)C(=O)c1ccc2c(=O)ccoc2c1
InChIInChI=1S/C21H18N2O3/c1-2-23(13-14-3-6-18-15(11-14)7-9-22-18)21(25)16-4-5-17-19(24)8-10-26-20(17)12-16/h3-12,22H,2,13H2,1H3
InChIKeyODCSVZDHFIEAKL-UHFFFAOYSA-N
XLogP3.94
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(1H-indol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119045322
3-cyano-N-ethyl-N-(1H-indol-5-ylmethyl)-1H-indole-7-carboxamide
CID 166392087
N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
CID 115771732
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-4-oxochromene-7-carboxamide
CID 166232496
N-ethyl-N-(piperidin-2-ylmethyl)-1H-indole-5-carboxamide
CID 106626088
2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
CID 120519645
N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
CID 42778117
N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide
CID 119044841
7-decylchromen-4-one
CID 143676648
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-(1H-indole-5-carbonyl)amino]acetic acid
CID 75499808
1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
CID 166234381
1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea
CID 154841114

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide?
The IUPAC name of N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide (CID 166232631) is N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide.
What is the SMILES notation for N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide?
The canonical SMILES for N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide is CCN(Cc1ccc2[nH]ccc2c1)C(=O)c1ccc2c(=O)ccoc2c1.
What is the InChIKey of N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide?
The InChIKey is ODCSVZDHFIEAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-2-23(13-14-3-6-18-15(11-14)7-9-22-18)21(25)16-4-5-17-19(24)8-10-26-20(17)12-16/h3-12,22H,2,13H2,1H3.
What are the key properties of N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide?
N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-indol-5-ylmethyl)-4-oxochromene-7-carboxamide is sourced from PubChem (CID 166232631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).