[3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate

C27H23NO7 — CID 56670100

IUPAC[3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(C)=O)c(C)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C27H23NO7/c1-15-23(34-16(2)29)10-8-18-14-22(27(31)35-25(15)18)28-26(30)19-9-11-24(33-4)21(13-19)17-6-5-7-20(12-17)32-3/h5-14H,1-4H3,(H,28,30)
InChIKeyMNCCHHUEIRUXHC-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.96
Rot. Bonds6

About [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate

[3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate (PubChem CID 56670100) has the molecular formula C27H23NO7 and a molecular weight of 473.48 g/mol. Its IUPAC name is [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate.

Molecular Properties

Compound Name[3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate
PubChem CID56670100
Molecular FormulaC27H23NO7
Molecular Weight473.48 g/mol
Exact Mass473.15
IUPAC Name[3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(C)=O)c(C)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C27H23NO7/c1-15-23(34-16(2)29)10-8-18-14-22(27(31)35-25(15)18)28-26(30)19-9-11-24(33-4)21(13-19)17-6-5-7-20(12-17)32-3/h5-14H,1-4H3,(H,28,30)
InChIKeyMNCCHHUEIRUXHC-UHFFFAOYSA-N
XLogP4.96
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate?
The IUPAC name of [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate (CID 56670100) is [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate.
What is the SMILES notation for [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate?
The canonical SMILES for [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate is COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(C)=O)c(C)c4oc3=O)ccc2OC)c1.
What is the InChIKey of [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate?
The InChIKey is MNCCHHUEIRUXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO7/c1-15-23(34-16(2)29)10-8-18-14-22(27(31)35-25(15)18)28-26(30)19-9-11-24(33-4)21(13-19)17-6-5-7-20(12-17)32-3/h5-14H,1-4H3,(H,28,30).
What are the key properties of [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate?
[3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate has a molecular weight of 473.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate is sourced from PubChem (CID 56670100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).