ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate

C22H19NO6 — CID 1473621

IUPACethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(OC)cc2)c(=O)oc1-c1ccccc1
InChIInChI=1S/C22H19NO6/c1-3-28-21(25)17-13-18(22(26)29-19(17)14-7-5-4-6-8-14)23-20(24)15-9-11-16(27-2)12-10-15/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyOFDLITBAUPMIFZ-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.74
Rot. Bonds6

About ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate

ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate (PubChem CID 1473621) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
PubChem CID1473621
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Nameethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(OC)cc2)c(=O)oc1-c1ccccc1
InChIInChI=1S/C22H19NO6/c1-3-28-21(25)17-13-18(22(26)29-19(17)14-7-5-4-6-8-14)23-20(24)15-9-11-16(27-2)12-10-15/h4-13H,3H2,1-2H3,(H,23,24)
InChIKeyOFDLITBAUPMIFZ-UHFFFAOYSA-N
XLogP3.74
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
CID 10596732
ethyl 5-[(2-methoxybenzoyl)amino]-2-methyl-6-oxopyran-3-carboxylate
CID 18891724
ethyl 5-benzamido-2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-6-oxopyran-3-carboxylate
CID 10345620
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 5-benzamido-2-[(E)-2-(4-bromoanilino)ethenyl]-6-oxopyran-3-carboxylate
CID 10576791
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
ethyl 2-benzamido-4,5-diphenylfuran-3-carboxylate
CID 126122147
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 5-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 102226522
methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate
CID 15192186
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate?
The IUPAC name of ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate (CID 1473621) is ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate is CCOC(=O)c1cc(NC(=O)c2ccc(OC)cc2)c(=O)oc1-c1ccccc1.
What is the InChIKey of ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate?
The InChIKey is OFDLITBAUPMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-3-28-21(25)17-13-18(22(26)29-19(17)14-7-5-4-6-8-14)23-20(24)15-9-11-16(27-2)12-10-15/h4-13H,3H2,1-2H3,(H,23,24).
What are the key properties of ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate?
ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate has a molecular weight of 393.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate is sourced from PubChem (CID 1473621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).