4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide

C22H21NO7 — CID 42227009

IUPAC4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
InChIInChI=1S/C22H21NO7/c1-26-17-9-15(10-18(27-2)21(17)28-3)23-22(25)19-11-16(24)20(13-30-19)29-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,23,25)
InChIKeyWATZACZYFCCBOG-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.50
Rot. Bonds8

About 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide

4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide (PubChem CID 42227009) has the molecular formula C22H21NO7 and a molecular weight of 411.41 g/mol. Its IUPAC name is 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide.

Molecular Properties

Compound Name4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
PubChem CID42227009
Molecular FormulaC22H21NO7
Molecular Weight411.41 g/mol
Exact Mass411.13
IUPAC Name4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC
InChIInChI=1S/C22H21NO7/c1-26-17-9-15(10-18(27-2)21(17)28-3)23-22(25)19-11-16(24)20(13-30-19)29-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,23,25)
InChIKeyWATZACZYFCCBOG-UHFFFAOYSA-N
XLogP3.50
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide 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

2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42317193
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 3,4,5-trimethoxybenzoate
CID 84559516
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
N-(2-carbamoylphenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227017
N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
CID 42227239
N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45490762
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960600
1-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 10506672
N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42226983

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide?
The IUPAC name of 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide (CID 42227009) is 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide.
What is the SMILES notation for 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide?
The canonical SMILES for 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide is COc1cc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)cc(OC)c1OC.
What is the InChIKey of 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide?
The InChIKey is WATZACZYFCCBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO7/c1-26-17-9-15(10-18(27-2)21(17)28-3)23-22(25)19-11-16(24)20(13-30-19)29-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,23,25).
What are the key properties of 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide?
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide is sourced from PubChem (CID 42227009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).