2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide

C17H21NO4 — CID 770841

IUPAC2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1
InChIInChI=1S/C17H21NO4/c1-5-18(6-2)16(19)10-21-13-7-8-14-11(3)12(4)17(20)22-15(14)9-13/h7-9H,5-6,10H2,1-4H3
InChIKeyWHLCWCJRNRFERW-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.66
Rot. Bonds5

About 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide

2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide (PubChem CID 770841) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
PubChem CID770841
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1
InChIInChI=1S/C17H21NO4/c1-5-18(6-2)16(19)10-21-13-7-8-14-11(3)12(4)17(20)22-15(14)9-13/h7-9H,5-6,10H2,1-4H3
InChIKeyWHLCWCJRNRFERW-UHFFFAOYSA-N
XLogP2.66
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate
CID 1297076
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
tert-butyl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 883280
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
7-ethoxy-4-methyl-2-oxochromene-3-carboxylic acid
CID 102547088
12-(3,4-dimethyl-2-oxochromen-7-yl)oxydodecyl propanoate
CID 164597251
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4901618
N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 1079173
2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 11148965
2-(4-methyl-2-oxo-3-propylchromen-7-yl)oxyacetic acid
CID 725775
ethyl 3-[7-(2-amino-2-oxoethoxy)-4-methyl-2-oxochromen-3-yl]propanoate
CID 907563
(2R)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid
CID 92509236

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide?
The IUPAC name of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide (CID 770841) is 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide?
The canonical SMILES for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc2c(C)c(C)c(=O)oc2c1.
What is the InChIKey of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide?
The InChIKey is WHLCWCJRNRFERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-5-18(6-2)16(19)10-21-13-7-8-14-11(3)12(4)17(20)22-15(14)9-13/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide?
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide has a molecular weight of 303.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide is sourced from PubChem (CID 770841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).