ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate

C16H19NO5 — CID 172587749

IUPACethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate
SMILESCC.COC(=O)c1cc(Nc2ccccc2)c(OC)c(=O)o1
InChIInChI=1S/C14H13NO5.C2H6/c1-18-12-10(15-9-6-4-3-5-7-9)8-11(13(16)19-2)20-14(12)17;1-2/h3-8,15H,1-2H3;1-2H3
InChIKeyJVFMCGQXPOMGDM-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.20
Rot. Bonds4

About ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate

ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate (PubChem CID 172587749) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate
PubChem CID172587749
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Nameethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate
SMILESCC.COC(=O)c1cc(Nc2ccccc2)c(OC)c(=O)o1
InChIInChI=1S/C14H13NO5.C2H6/c1-18-12-10(15-9-6-4-3-5-7-9)8-11(13(16)19-2)20-14(12)17;1-2/h3-8,15H,1-2H3;1-2H3
InChIKeyJVFMCGQXPOMGDM-UHFFFAOYSA-N
XLogP3.20
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-Difluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2584018
N6-phenyl-4-methyl-2-oxo-2H-pyran-6-carboxamide
CID 2739567
(2-Anilino-2-oxoethyl) 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2488438
2-Oxo-N-phenyl-2H-pyran-6-carboxamide
CID 2739561
2H-Pyran-2-one, 5,6-dihydro-6-methyl-4-(phenylamino)-
CID 6914717
Ethyl 3-anilinocrotonate
CID 735753
ethyl (Z)-3-anilinobut-2-enoate
CID 5399016
[2-(4-Fluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2584074
3-Phenylamino-but-2-enoic acid ethyl ester
CID 94928
ethyl (Z)-3-anilino-2-methylbut-2-enoate
CID 10036371
Fumaric acid, anilino-, diethyl ester
CID 5372735
2,3-Dihydro-2,2,3,3-tetraethoxy-5,6-di-methoxycarbonyl-N-phenyl-1,4-oxazin
CID 15258037

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate?
The IUPAC name of ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate (CID 172587749) is ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate.
What is the SMILES notation for ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate?
The canonical SMILES for ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate is CC.COC(=O)c1cc(Nc2ccccc2)c(OC)c(=O)o1.
What is the InChIKey of ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate?
The InChIKey is JVFMCGQXPOMGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5.C2H6/c1-18-12-10(15-9-6-4-3-5-7-9)8-11(13(16)19-2)20-14(12)17;1-2/h3-8,15H,1-2H3;1-2H3.
What are the key properties of ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate?
ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-anilino-5-methoxy-6-oxopyran-2-carboxylate is sourced from PubChem (CID 172587749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).