[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate

C23H25NO7 — CID 71483944

IUPAC[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1
InChIInChI=1S/C23H25NO7/c1-6-24(7-2)23(26)30-15-10-8-14(9-11-15)17-12-16(25)20-18(31-17)13-19(27-3)21(28-4)22(20)29-5/h8-13H,6-7H2,1-5H3
InChIKeyHSORCKPFFBYLKC-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.33
Rot. Bonds7

About [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate

[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate (PubChem CID 71483944) has the molecular formula C23H25NO7 and a molecular weight of 427.45 g/mol. Its IUPAC name is [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate
PubChem CID71483944
Molecular FormulaC23H25NO7
Molecular Weight427.45 g/mol
Exact Mass427.16
IUPAC Name[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1
InChIInChI=1S/C23H25NO7/c1-6-24(7-2)23(26)30-15-10-8-14(9-11-15)17-12-16(25)20-18(31-17)13-19(27-3)21(28-4)22(20)29-5/h8-13H,6-7H2,1-5H3
InChIKeyHSORCKPFFBYLKC-UHFFFAOYSA-N
XLogP4.33
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate (CID 71483944) is [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1.
What is the InChIKey of [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate?
The InChIKey is HSORCKPFFBYLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7/c1-6-24(7-2)23(26)30-15-10-8-14(9-11-15)17-12-16(25)20-18(31-17)13-19(27-3)21(28-4)22(20)29-5/h8-13H,6-7H2,1-5H3.
What are the key properties of [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate?
[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate has a molecular weight of 427.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 71483944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).