ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate

C16H27NO4 — CID 153350348

IUPACethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate
SMILESCC.CC.CCOC(=O)Cc1ccc(NC=O)cc1OC
InChIInChI=1S/C12H15NO4.2C2H6/c1-3-17-12(15)6-9-4-5-10(13-8-14)7-11(9)16-2;2*1-2/h4-5,7-8H,3,6H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyYJDXMWGAMRACHG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.42
Rot. Bonds6

About ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate

ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate (PubChem CID 153350348) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate
PubChem CID153350348
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Nameethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate
SMILESCC.CC.CCOC(=O)Cc1ccc(NC=O)cc1OC
InChIInChI=1S/C12H15NO4.2C2H6/c1-3-17-12(15)6-9-4-5-10(13-8-14)7-11(9)16-2;2*1-2/h4-5,7-8H,3,6H2,1-2H3,(H,13,14);2*1-2H3
InChIKeyYJDXMWGAMRACHG-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373
ethyl 2-(4-ethyl-2-methoxyphenyl)acetate;hexane
CID 139561752
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
ethyl 2-(4,5-dichloro-2-methoxyphenyl)acetate
CID 82553976
amino 2-(4-formyl-2-methoxyphenyl)acetate
CID 175512455
3-O-[[4-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-2,5-dimethoxyphenyl]methyl] 1-O-ethyl propanedioate
CID 11201129
ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
CID 171005875
ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
CID 171001780
ethyl 2-(2-cyano-4-ethyl-5-methoxyphenyl)acetate
CID 134615010

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate?
The IUPAC name of ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate (CID 153350348) is ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate.
What is the SMILES notation for ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate?
The canonical SMILES for ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate is CC.CC.CCOC(=O)Cc1ccc(NC=O)cc1OC.
What is the InChIKey of ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate?
The InChIKey is YJDXMWGAMRACHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4.2C2H6/c1-3-17-12(15)6-9-4-5-10(13-8-14)7-11(9)16-2;2*1-2/h4-5,7-8H,3,6H2,1-2H3,(H,13,14);2*1-2H3.
What are the key properties of ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate?
ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate has a molecular weight of 297.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate is sourced from PubChem (CID 153350348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).