(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid

C26H25NO4 — CID 10295336

IUPAC(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C26H25NO4/c28-25-6-3-14-27(25)18-20-8-10-22(11-12-26(29)30)24(17-20)31-15-13-19-7-9-21-4-1-2-5-23(21)16-19/h1-2,4-5,7-12,16-17H,3,6,13-15,18H2,(H,29,30)/b12-11+
InChIKeyUZFYCISOWWEDLU-VAWYXSNFSA-N
MW415.49 g/mol
LogP4.68
Rot. Bonds8

About (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid

(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid (PubChem CID 10295336) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid
PubChem CID10295336
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C26H25NO4/c28-25-6-3-14-27(25)18-20-8-10-22(11-12-26(29)30)24(17-20)31-15-13-19-7-9-21-4-1-2-5-23(21)16-19/h1-2,4-5,7-12,16-17H,3,6,13-15,18H2,(H,29,30)/b12-11+
InChIKeyUZFYCISOWWEDLU-VAWYXSNFSA-N
XLogP4.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

RG 14893
CID 132379
(2E,4E)-5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]penta-2,4-dienoic acid
CID 10839275
(2E)-2-[[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]methylidene]butanoic acid
CID 10839343
1-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methyl]pyrrolidine-3-carboxylic acid
CID 77847765
(E)-3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]prop-2-enoic acid
CID 10552703
4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-8-pentoxynaphthalene-2-carboxylic acid
CID 10741453
6-[3-[[(4-Naphthalen-2-ylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid
CID 70682060
4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-7-phenylmethoxynaphthalene-2-carboxylic acid
CID 10503860
(E)-3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenoxynaphthalen-2-yl]prop-2-enoic acid
CID 10718993
3-[4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenoxynaphthalen-2-yl]propanoic acid
CID 10719067
5-[4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid
CID 10720468
2-[1-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 77846507

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid (CID 10295336) is (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1.
What is the InChIKey of (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid?
The InChIKey is UZFYCISOWWEDLU-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H25NO4/c28-25-6-3-14-27(25)18-20-8-10-22(11-12-26(29)30)24(17-20)31-15-13-19-7-9-21-4-1-2-5-23(21)16-19/h1-2,4-5,7-12,16-17H,3,6,13-15,18H2,(H,29,30)/b12-11+.
What are the key properties of (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid?
(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid has a molecular weight of 415.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 10295336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).