2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide

C12H12N2O3 — CID 688482

IUPAC2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CN)ccc12
InChIInChI=1S/C12H12N2O3/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyKYIPWSXYZXKCST-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.00
Rot. Bonds2

About 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 688482) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID688482
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CN)ccc12
InChIInChI=1S/C12H12N2O3/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyKYIPWSXYZXKCST-UHFFFAOYSA-N
XLogP1.00
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 74319438
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
butyl N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 3690863
(2S)-2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide;hydrochloride
CID 129319301
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 688482) is 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)CN)ccc12.
What is the InChIKey of 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is KYIPWSXYZXKCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13/h2-5H,6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 688482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).