[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate

C20H19NO6 — CID 71664178

IUPAC[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cc(O)c2c(=O)c(-c3ccc(OC)cc3)coc2c1
InChIInChI=1S/C20H19NO6/c1-4-21(2)20(24)27-14-9-16(22)18-17(10-14)26-11-15(19(18)23)12-5-7-13(25-3)8-6-12/h5-11,22H,4H2,1-3H3
InChIKeyVCGMJAQDSVMONB-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.62
Rot. Bonds4

About [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate

[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate (PubChem CID 71664178) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
PubChem CID71664178
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cc(O)c2c(=O)c(-c3ccc(OC)cc3)coc2c1
InChIInChI=1S/C20H19NO6/c1-4-21(2)20(24)27-14-9-16(22)18-17(10-14)26-11-15(19(18)23)12-5-7-13(25-3)8-6-12/h5-11,22H,4H2,1-3H3
InChIKeyVCGMJAQDSVMONB-UHFFFAOYSA-N
XLogP3.62
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-(2-bromoethyl)carbamate
CID 70687672
5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
CID 163355407
5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 163355414
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] 4-benzylpiperidine-1-carboxylate
CID 71664265
5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 7067374
7-(3,7-dimethylocta-2,6-dienoxy)-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
CID 163053489
5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 90064063
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299
7-[4-(diethylamino)butoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 54675067
(5-hydroxy-4-oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate
CID 12017762
2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide
CID 171340353
7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
CID 11271963

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate (CID 71664178) is [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1cc(O)c2c(=O)c(-c3ccc(OC)cc3)coc2c1.
What is the InChIKey of [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate?
The InChIKey is VCGMJAQDSVMONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-4-21(2)20(24)27-14-9-16(22)18-17(10-14)26-11-15(19(18)23)12-5-7-13(25-3)8-6-12/h5-11,22H,4H2,1-3H3.
What are the key properties of [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate?
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate has a molecular weight of 369.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 71664178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).