ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate

C22H19NO6 — CID 10596732

IUPACethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)OCc2ccccc2)c(=O)oc1-c1ccccc1
InChIInChI=1S/C22H19NO6/c1-2-27-20(24)17-13-18(21(25)29-19(17)16-11-7-4-8-12-16)23-22(26)28-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeyZGGMCMRUMITZRF-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.23
Rot. Bonds6

About ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate

ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate (PubChem CID 10596732) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
PubChem CID10596732
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Nameethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)OCc2ccccc2)c(=O)oc1-c1ccccc1
InChIInChI=1S/C22H19NO6/c1-2-27-20(24)17-13-18(21(25)29-19(17)16-11-7-4-8-12-16)23-22(26)28-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeyZGGMCMRUMITZRF-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
CID 1473621
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
benzyl N-(7-hydroxy-2-oxochromen-3-yl)carbamate
CID 10733792
ethyl 5-(4-methylphenyl)-2-phenylfuran-3-carboxylate
CID 100921734
ethyl 5-(4-methylphenyl)-2-oxo-6-phenylpyran-3-carboxylate
CID 102226522
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl 6-methyl-2-oxopyran-3-carboxylate
CID 53355201
benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
CID 22405456
methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
CID 69296077
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
CID 86612303
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
[6-methoxy-8-methyl-2-oxo-3-(phenylmethoxycarbonylamino)chromen-7-yl] acetate
CID 53261523

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate?
The IUPAC name of ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate (CID 10596732) is ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate is CCOC(=O)c1cc(NC(=O)OCc2ccccc2)c(=O)oc1-c1ccccc1.
What is the InChIKey of ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate?
The InChIKey is ZGGMCMRUMITZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-2-27-20(24)17-13-18(21(25)29-19(17)16-11-7-4-8-12-16)23-22(26)28-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,23,26).
What are the key properties of ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate?
ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate has a molecular weight of 393.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate is sourced from PubChem (CID 10596732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).