(E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid

C20H19NO6 — CID 19619505

IUPAC(E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccccc2/C=C/C(=O)O)cc1
InChIInChI=1S/C20H19NO6/c1-2-26-20(25)15-7-10-16(11-8-15)21-18(22)13-27-17-6-4-3-5-14(17)9-12-19(23)24/h3-12H,2,13H2,1H3,(H,21,22)(H,23,24)/b12-9+
InChIKeyCWOIBXCZRKFOOT-FMIVXFBMSA-N
MW369.37 g/mol
LogP2.98
Rot. Bonds8

About (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid

(E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid (PubChem CID 19619505) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid
PubChem CID19619505
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name(E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccccc2/C=C/C(=O)O)cc1
InChIInChI=1S/C20H19NO6/c1-2-26-20(25)15-7-10-16(11-8-15)21-18(22)13-27-17-6-4-3-5-14(17)9-12-19(23)24/h3-12H,2,13H2,1H3,(H,21,22)(H,23,24)/b12-9+
InChIKeyCWOIBXCZRKFOOT-FMIVXFBMSA-N
XLogP2.98
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-(2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 887040
propyl 4-[3-(2-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4278286
ethyl 4-[[2-(1-formylnaphthalen-2-yl)oxyacetyl]amino]benzoate
CID 7763576
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
ethyl 4-[[2-[2-[[3-[[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetyl]amino]benzoate
CID 71834549
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
ethyl 4-[(4E)-4-[[2-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate
CID 19590264
ethyl 4-[4-[[2-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate
CID 71833981
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
ethyl 4-[(5Z)-2-imino-5-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]benzoate
CID 16633462

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid (CID 19619505) is (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid is CCOC(=O)c1ccc(NC(=O)COc2ccccc2/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid?
The InChIKey is CWOIBXCZRKFOOT-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H19NO6/c1-2-26-20(25)15-7-10-16(11-8-15)21-18(22)13-27-17-6-4-3-5-14(17)9-12-19(23)24/h3-12H,2,13H2,1H3,(H,21,22)(H,23,24)/b12-9+.
What are the key properties of (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid?
(E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid has a molecular weight of 369.37 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 19619505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).