N-(2-aminoethyl)-4-oxochromene-2-carboxamide

C12H12N2O3 — CID 54880765

IUPACN-(2-aminoethyl)-4-oxochromene-2-carboxamide
SMILESNCCNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C12H12N2O3/c13-5-6-14-12(16)11-7-9(15)8-3-1-2-4-10(8)17-11/h1-4,7H,5-6,13H2,(H,14,16)
InChIKeyISRNOPPGBHYHMD-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.48
Rot. Bonds3

About N-(2-aminoethyl)-4-oxochromene-2-carboxamide

N-(2-aminoethyl)-4-oxochromene-2-carboxamide (PubChem CID 54880765) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-oxochromene-2-carboxamide
PubChem CID54880765
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(2-aminoethyl)-4-oxochromene-2-carboxamide
SMILESNCCNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C12H12N2O3/c13-5-6-14-12(16)11-7-9(15)8-3-1-2-4-10(8)17-11/h1-4,7H,5-6,13H2,(H,14,16)
InChIKeyISRNOPPGBHYHMD-UHFFFAOYSA-N
XLogP0.48
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-oxochromene-2-carboxamide
CID 11253603
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449223
4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]chromene-2-carboxamide
CID 104955209
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide
CID 90599147
N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
CID 103713082
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 17494612

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-oxochromene-2-carboxamide (CID 54880765) is N-(2-aminoethyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-oxochromene-2-carboxamide is NCCNC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(2-aminoethyl)-4-oxochromene-2-carboxamide?
The InChIKey is ISRNOPPGBHYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-5-6-14-12(16)11-7-9(15)8-3-1-2-4-10(8)17-11/h1-4,7H,5-6,13H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-4-oxochromene-2-carboxamide?
N-(2-aminoethyl)-4-oxochromene-2-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 54880765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).