[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate

C25H21NO8 — CID 42450559

IUPAC[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate
SMILESCCOC(=O)Nc1ccc2c(COC(=O)c3occc3COc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C25H21NO8/c1-2-30-25(29)26-18-8-9-20-17(12-22(27)34-21(20)13-18)15-33-24(28)23-16(10-11-31-23)14-32-19-6-4-3-5-7-19/h3-13H,2,14-15H2,1H3,(H,26,29)
InChIKeyPXPAFUKEQHUWBN-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.89
Rot. Bonds8

About [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate

[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate (PubChem CID 42450559) has the molecular formula C25H21NO8 and a molecular weight of 463.44 g/mol. Its IUPAC name is [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate
PubChem CID42450559
Molecular FormulaC25H21NO8
Molecular Weight463.44 g/mol
Exact Mass463.13
IUPAC Name[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate
SMILESCCOC(=O)Nc1ccc2c(COC(=O)c3occc3COc3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C25H21NO8/c1-2-30-25(29)26-18-8-9-20-17(12-22(27)34-21(20)13-18)15-33-24(28)23-16(10-11-31-23)14-32-19-6-4-3-5-7-19/h3-13H,2,14-15H2,1H3,(H,26,29)
InChIKeyPXPAFUKEQHUWBN-UHFFFAOYSA-N
XLogP4.89
TPSA117.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
CID 7891680
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-phenylsulfanylacetate
CID 40619628
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-methoxyphenoxy)acetate
CID 41463805
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-cyanophenoxy)acetate
CID 2097462
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethylbenzoate
CID 7775602
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2423246
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-ethylsulfinylbenzoate
CID 55374719
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methoxyphenyl)acetate
CID 46795057
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 7904603
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2394646
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl imidazo[1,2-a]pyridine-2-carboxylate
CID 7226251

Frequently Asked Questions

What is the IUPAC name of [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate (CID 42450559) is [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate is CCOC(=O)Nc1ccc2c(COC(=O)c3occc3COc3ccccc3)cc(=O)oc2c1.
What is the InChIKey of [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is PXPAFUKEQHUWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO8/c1-2-30-25(29)26-18-8-9-20-17(12-22(27)34-21(20)13-18)15-33-24(28)23-16(10-11-31-23)14-32-19-6-4-3-5-7-19/h3-13H,2,14-15H2,1H3,(H,26,29).
What are the key properties of [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate?
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 463.44 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 42450559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).