2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide

C14H16N2O3 — CID 91354859

IUPAC2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O
InChIInChI=1S/C14H16N2O3/c1-3-16-13(17)7-11-8(2)10-5-4-9(15)6-12(10)19-14(11)18/h4-6H,3,7,15H2,1-2H3,(H,16,17)
InChIKeyOTFGLBREBSCZTG-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.36
Rot. Bonds3

About 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide

2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide (PubChem CID 91354859) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide
PubChem CID91354859
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O
InChIInChI=1S/C14H16N2O3/c1-3-16-13(17)7-11-8(2)10-5-4-9(15)6-12(10)19-14(11)18/h4-6H,3,7,15H2,1-2H3,(H,16,17)
InChIKeyOTFGLBREBSCZTG-UHFFFAOYSA-N
XLogP1.36
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.36
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-methylacetamide;ethane
CID 164588773
7-amino-4-methyl-3-(2-oxobutyl)chromen-2-one
CID 166552007
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
2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]acetamide
CID 102440671
3-(7-amino-4-methyl-2-oxochromen-3-yl)propanoic acid
CID 54232330
2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]acetamide
CID 25007275
(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
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145814
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
ethyl 7-amino-3-methyl-2-oxochromene-4-carboxylate
CID 141118474
7-amino-3-decanoyl-4-methylchromen-2-one
CID 87319141

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide (CID 91354859) is 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide is CCNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O.
What is the InChIKey of 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide?
The InChIKey is OTFGLBREBSCZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16-13(17)7-11-8(2)10-5-4-9(15)6-12(10)19-14(11)18/h4-6H,3,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide?
2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide has a molecular weight of 260.29 g/mol, XLogP of 1.36, 3 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-ethylacetamide is sourced from PubChem (CID 91354859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).