2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide

C14H15NO4 — CID 770817

IUPAC2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12
InChIInChI=1S/C14H15NO4/c1-3-9-6-13(17)19-14-8(2)11(5-4-10(9)14)18-7-12(15)16/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyAVPMQDYECOMFTB-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.53
Rot. Bonds4

About 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide

2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 770817) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound Name2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID770817
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12
InChIInChI=1S/C14H15NO4/c1-3-9-6-13(17)19-14-8(2)11(5-4-10(9)14)18-7-12(15)16/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyAVPMQDYECOMFTB-UHFFFAOYSA-N
XLogP1.53
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetate
CID 2271747
(2R)-2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
CID 44667762
2-[8-(2-amino-2-oxoethoxy)-4-butyl-2-oxochromen-7-yl]oxyacetamide
CID 166604078
5-(carbamoylamino)-2-[[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 3412961
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
ethyl 3-[7-(2-amino-2-oxoethoxy)-4,8-dimethyl-2-oxochromen-3-yl]propanoate
CID 907650
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
2-[[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]butanedioic acid
CID 71951004
(4-ethyl-8-methyl-2-oxochromen-7-yl) furan-2-carboxylate
CID 905836
7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 2299030
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide (CID 770817) is 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide is CCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12.
What is the InChIKey of 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is AVPMQDYECOMFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-9-6-13(17)19-14-8(2)11(5-4-10(9)14)18-7-12(15)16/h4-6H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide?
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 261.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 770817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).