ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate

C14H19NO4 — CID 54984127

IUPACethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H19NO4/c1-3-15(10-14(18)19-4-2)13(17)9-11-6-5-7-12(16)8-11/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyWQWAPLKUCOENMK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate

ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate (PubChem CID 54984127) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
PubChem CID54984127
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H19NO4/c1-3-15(10-14(18)19-4-2)13(17)9-11-6-5-7-12(16)8-11/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyWQWAPLKUCOENMK-UHFFFAOYSA-N
XLogP1.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl-(2-naphthalen-2-ylacetyl)amino]acetate
CID 78901900
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 2-[[2-(3-chlorophenyl)acetyl]-methylamino]acetate
CID 60615788
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
CID 59684927
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate (CID 54984127) is ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate is CCOC(=O)CN(CC)C(=O)Cc1cccc(O)c1.
What is the InChIKey of ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate?
The InChIKey is WQWAPLKUCOENMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-15(10-14(18)19-4-2)13(17)9-11-6-5-7-12(16)8-11/h5-8,16H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate?
ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[2-(3-hydroxyphenyl)acetyl]amino]acetate is sourced from PubChem (CID 54984127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).