2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide

C18H16N2O3 — CID 7463353

IUPAC2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESNc1oc2ccccc2c(=O)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H16N2O3/c19-17-15(16(21)13-8-4-5-9-14(13)23-17)18(22)20-11-10-12-6-2-1-3-7-12/h1-9H,10-11,19H2,(H,20,22)
InChIKeyQYBCYBUVEICNIG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide

2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide (PubChem CID 7463353) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide
PubChem CID7463353
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESNc1oc2ccccc2c(=O)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H16N2O3/c19-17-15(16(21)13-8-4-5-9-14(13)23-17)18(22)20-11-10-12-6-2-1-3-7-12/h1-9H,10-11,19H2,(H,20,22)
InChIKeyQYBCYBUVEICNIG-UHFFFAOYSA-N
XLogP2.35
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-2-aminochromen-4-one
CID 23195665
2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one
CID 175257537
2-amino-1-benzofuran-3-carboxylic acid
CID 83449008
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-[2-(4-hydroxyphenyl)ethyl]-2-oxochromene-4-carboxamide
CID 162910243
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081224
2,3,6-trichloro-N-(2-phenylethyl)benzamide
CID 19171105
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
3-methyl-N-[3-(2-phenylethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide
CID 2060285

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The IUPAC name of 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide (CID 7463353) is 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide is Nc1oc2ccccc2c(=O)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The InChIKey is QYBCYBUVEICNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c19-17-15(16(21)13-8-4-5-9-14(13)23-17)18(22)20-11-10-12-6-2-1-3-7-12/h1-9H,10-11,19H2,(H,20,22).
What are the key properties of 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-N-(2-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 7463353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).