[5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate

C30H37N3O8 — CID 175640007

IUPAC[5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(OC(=O)N(CC)CC)c1OC(=O)N(CC)CC
InChIInChI=1S/C30H37N3O8/c1-7-31(8-2)28(35)39-24-19-23-25(21(34)18-22(38-23)20-16-14-13-15-17-20)27(41-30(37)33(11-5)12-6)26(24)40-29(36)32(9-3)10-4/h13-19H,7-12H2,1-6H3
InChIKeyDIGOFSGQONPBLD-UHFFFAOYSA-N
MW567.64 g/mol
LogP5.98
Rot. Bonds10

About [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate

[5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate (PubChem CID 175640007) has the molecular formula C30H37N3O8 and a molecular weight of 567.64 g/mol. Its IUPAC name is [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate
PubChem CID175640007
Molecular FormulaC30H37N3O8
Molecular Weight567.64 g/mol
Exact Mass567.26
IUPAC Name[5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(OC(=O)N(CC)CC)c1OC(=O)N(CC)CC
InChIInChI=1S/C30H37N3O8/c1-7-31(8-2)28(35)39-24-19-23-25(21(34)18-22(38-23)20-16-14-13-15-17-20)27(41-30(37)33(11-5)12-6)26(24)40-29(36)32(9-3)10-4/h13-19H,7-12H2,1-6H3
InChIKeyDIGOFSGQONPBLD-UHFFFAOYSA-N
XLogP5.98
TPSA118.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.64
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate
CID 71483946
(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate
CID 58966182
5-(ethylaminooxy)-6,7-dihydroxy-2-phenylchromen-4-one
CID 175061039
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
CID 141463684
(5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate
CID 58178607
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
(7-hydroxy-4-oxo-2-phenylchromen-5-yl) benzoate
CID 11068297
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
6-hydroxy-2-phenyl-5,7-bis(phenylmethoxy)chromen-4-one
CID 171061853
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702
N-(7-methoxy-4-oxo-2-phenylchromen-6-yl)acetamide
CID 121366062

Frequently Asked Questions

What is the IUPAC name of [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate?
The IUPAC name of [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate (CID 175640007) is [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate.
What is the SMILES notation for [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate?
The canonical SMILES for [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(OC(=O)N(CC)CC)c1OC(=O)N(CC)CC.
What is the InChIKey of [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate?
The InChIKey is DIGOFSGQONPBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O8/c1-7-31(8-2)28(35)39-24-19-23-25(21(34)18-22(38-23)20-16-14-13-15-17-20)27(41-30(37)33(11-5)12-6)26(24)40-29(36)32(9-3)10-4/h13-19H,7-12H2,1-6H3.
What are the key properties of [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate?
[5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate has a molecular weight of 567.64 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(diethylcarbamoyloxy)-4-oxo-2-phenylchromen-7-yl] N,N-diethylcarbamate is sourced from PubChem (CID 175640007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).