[3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate

C21H21NO5 — CID 663925

IUPAC[3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1
InChIInChI=1S/C21H21NO5/c1-4-22(5-2)21(24)27-16-10-11-17-19(12-16)26-13-18(20(17)23)14-6-8-15(25-3)9-7-14/h6-13H,4-5H2,1-3H3
InChIKeyLMOATXHMHJIGGK-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.31
Rot. Bonds5

About [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate

[3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate (PubChem CID 663925) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate
PubChem CID663925
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name[3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1
InChIInChI=1S/C21H21NO5/c1-4-22(5-2)21(24)27-16-10-11-17-19(12-16)26-13-18(20(17)23)14-6-8-15(25-3)9-7-14/h6-13H,4-5H2,1-3H3
InChIKeyLMOATXHMHJIGGK-UHFFFAOYSA-N
XLogP4.31
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 77387

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate?
The IUPAC name of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate (CID 663925) is [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate.
What is the SMILES notation for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate?
The canonical SMILES for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1.
What is the InChIKey of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate?
The InChIKey is LMOATXHMHJIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-22(5-2)21(24)27-16-10-11-17-19(12-16)26-13-18(20(17)23)14-6-8-15(25-3)9-7-14/h6-13H,4-5H2,1-3H3.
What are the key properties of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate?
[3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate has a molecular weight of 367.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] N,N-diethylcarbamate is sourced from PubChem (CID 663925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).