(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid

C14H17NO5 — CID 43267848

IUPAC(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid
SMILESCCNC(=O)COc1ccc(OC)cc1/C=C/C(=O)O
InChIInChI=1S/C14H17NO5/c1-3-15-13(16)9-20-12-6-5-11(19-2)8-10(12)4-7-14(17)18/h4-8H,3,9H2,1-2H3,(H,15,16)(H,17,18)/b7-4+
InChIKeyYEHDOOAICOVWPF-QPJJXVBHSA-N
MW279.29 g/mol
LogP1.31
Rot. Bonds7

About (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid

(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid (PubChem CID 43267848) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid
PubChem CID43267848
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid
SMILESCCNC(=O)COc1ccc(OC)cc1/C=C/C(=O)O
InChIInChI=1S/C14H17NO5/c1-3-15-13(16)9-20-12-6-5-11(19-2)8-10(12)4-7-14(17)18/h4-8H,3,9H2,1-2H3,(H,15,16)(H,17,18)/b7-4+
InChIKeyYEHDOOAICOVWPF-QPJJXVBHSA-N
XLogP1.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 43267828
3-(2-but-2-ynoxy-5-methoxyphenyl)prop-2-enoic acid
CID 76939169
(E)-3-[5-chloro-2-[2-oxo-2-(propylamino)ethoxy]phenyl]prop-2-enoic acid
CID 43142029
3-[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 76954491
2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
CID 172906966
(E)-3-(2-butan-2-yloxy-5-methoxyphenyl)prop-2-enoic acid
CID 43267855
(E)-3-[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]prop-2-enoic acid
CID 106454077
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
2-[4-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 7947909
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
3-[5-methyl-2-[2-oxo-2-(prop-2-ynylamino)ethoxy]phenyl]prop-2-enoic acid
CID 77011372

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid (CID 43267848) is (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid is CCNC(=O)COc1ccc(OC)cc1/C=C/C(=O)O.
What is the InChIKey of (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid?
The InChIKey is YEHDOOAICOVWPF-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H17NO5/c1-3-15-13(16)9-20-12-6-5-11(19-2)8-10(12)4-7-14(17)18/h4-8H,3,9H2,1-2H3,(H,15,16)(H,17,18)/b7-4+.
What are the key properties of (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid?
(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid is sourced from PubChem (CID 43267848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).