2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide

C31H32N2O9 — CID 3778887

IUPAC2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2(C3=Cc4ccccc4OC3)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C31H32N2O9/c1-36-23-12-20(13-24(37-2)28(23)40-5)32-30(35)31(19-11-18-9-7-8-10-22(18)42-17-19)16-27(34)33(31)21-14-25(38-3)29(41-6)26(15-21)39-4/h7-15H,16-17H2,1-6H3,(H,32,35)
InChIKeyPADHOACEMXZAML-UHFFFAOYSA-N
MW576.60 g/mol
LogP4.33
Rot. Bonds10

About 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide

2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide (PubChem CID 3778887) has the molecular formula C31H32N2O9 and a molecular weight of 576.60 g/mol. Its IUPAC name is 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
PubChem CID3778887
Molecular FormulaC31H32N2O9
Molecular Weight576.60 g/mol
Exact Mass576.21
IUPAC Name2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2(C3=Cc4ccccc4OC3)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C31H32N2O9/c1-36-23-12-20(13-24(37-2)28(23)40-5)32-30(35)31(19-11-18-9-7-8-10-22(18)42-17-19)16-27(34)33(31)21-14-25(38-3)29(41-6)26(15-21)39-4/h7-15H,16-17H2,1-6H3,(H,32,35)
InChIKeyPADHOACEMXZAML-UHFFFAOYSA-N
XLogP4.33
TPSA114.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide
CID 3413502
2-(2-chlorophenyl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 3729921
2-(1H-benzimidazol-2-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide
CID 3517088
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2H-chromene-3-carboxylate
CID 8821553
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
(3aS)-4-methyl-1,5-dioxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
CID 51974851
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 90502702
N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
CID 2987222
1-N'-benzyl-1-N'-methyl-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975615
N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799

Frequently Asked Questions

What is the IUPAC name of 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The IUPAC name of 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide (CID 3778887) is 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide.
What is the SMILES notation for 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The canonical SMILES for 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide is COc1cc(NC(=O)C2(C3=Cc4ccccc4OC3)CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
The InChIKey is PADHOACEMXZAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O9/c1-36-23-12-20(13-24(37-2)28(23)40-5)32-30(35)31(19-11-18-9-7-8-10-22(18)42-17-19)16-27(34)33(31)21-14-25(38-3)29(41-6)26(15-21)39-4/h7-15H,16-17H2,1-6H3,(H,32,35).
What are the key properties of 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide?
2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide has a molecular weight of 576.60 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-chromen-3-yl)-4-oxo-N,1-bis(3,4,5-trimethoxyphenyl)azetidine-2-carboxamide is sourced from PubChem (CID 3778887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).