2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane

C15H20N2O3 — CID 164588773

IUPAC2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane
SMILESCC.CNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O
InChIInChI=1S/C13H14N2O3.C2H6/c1-7-9-4-3-8(14)5-11(9)18-13(17)10(7)6-12(16)15-2;1-2/h3-5H,6,14H2,1-2H3,(H,15,16);1-2H3
InChIKeyMZTHZMRVFJBUNO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.00
Rot. Bonds2

About 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane

2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane (PubChem CID 164588773) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane.

Molecular Properties

Compound Name2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane
PubChem CID164588773
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane
SMILESCC.CNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O
InChIInChI=1S/C13H14N2O3.C2H6/c1-7-9-4-3-8(14)5-11(9)18-13(17)10(7)6-12(16)15-2;1-2/h3-5H,6,14H2,1-2H3,(H,15,16);1-2H3
InChIKeyMZTHZMRVFJBUNO-UHFFFAOYSA-N
XLogP2.00
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide
CID 91354859
7-amino-4-methyl-3-(2-oxopropyl)chromen-2-one
CID 89185013
methyl 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
CID 86668467
7-amino-4-methyl-3-(2-oxobutyl)chromen-2-one
CID 166552007
3-(7-amino-4-methyl-2-oxochromen-3-yl)propanoic acid
CID 54232330
2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]acetamide
CID 102440671
2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]acetamide
CID 25007275
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
(2S)-6-[[2-(7-amino-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-[[(2R)-2-aminopropanoyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid
CID 139600270
ethyl 7-amino-3-methyl-2-oxochromene-4-carboxylate
CID 141118474
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate
CID 907412

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane?
The IUPAC name of 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane (CID 164588773) is 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane.
What is the SMILES notation for 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane?
The canonical SMILES for 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane is CC.CNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O.
What is the InChIKey of 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane?
The InChIKey is MZTHZMRVFJBUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3.C2H6/c1-7-9-4-3-8(14)5-11(9)18-13(17)10(7)6-12(16)15-2;1-2/h3-5H,6,14H2,1-2H3,(H,15,16);1-2H3.
What are the key properties of 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane?
2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane has a molecular weight of 276.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-methylacetamide;ethane is sourced from PubChem (CID 164588773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).