(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid

C28H23NO4 — CID 23016735

IUPAC(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(C(=O)Nc2ccccc2)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C28H23NO4/c30-27(31)15-14-22-12-13-24(28(32)29-25-8-2-1-3-9-25)19-26(22)33-17-16-20-10-11-21-6-4-5-7-23(21)18-20/h1-15,18-19H,16-17H2,(H,29,32)(H,30,31)/b15-14+
InChIKeyDAZSISWMTCUANG-CCEZHUSRSA-N
MW437.50 g/mol
LogP5.81
Rot. Bonds8

About (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid

(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid (PubChem CID 23016735) has the molecular formula C28H23NO4 and a molecular weight of 437.50 g/mol. Its IUPAC name is (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid
PubChem CID23016735
Molecular FormulaC28H23NO4
Molecular Weight437.50 g/mol
Exact Mass437.16
IUPAC Name(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(C(=O)Nc2ccccc2)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C28H23NO4/c30-27(31)15-14-22-12-13-24(28(32)29-25-8-2-1-3-9-25)19-26(22)33-17-16-20-10-11-21-6-4-5-7-23(21)18-20/h1-15,18-19H,16-17H2,(H,29,32)(H,30,31)/b15-14+
InChIKeyDAZSISWMTCUANG-CCEZHUSRSA-N
XLogP5.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[(4-methylphenyl)carbamoyl]-2-(2-naphthalen-2-ylethoxy)phenyl]prop-2-enoic acid
CID 11855564
(E)-3-[4-[(3-cyanophenyl)carbamoyl]-2-(2-naphthalen-2-ylethoxy)phenyl]prop-2-enoic acid
CID 11855838
(E)-3-[4-[(2,5-difluorophenyl)carbamoyl]-2-(2-phenylethoxy)phenyl]prop-2-enoic acid
CID 11855841
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[[4-[(E)-3-[(3,4-difluorophenyl)sulfonylamino]-3-oxoprop-1-enyl]-3-(2-naphthalen-2-ylethoxy)phenyl]methyl]-N-methylbenzamide
CID 23017289
(E)-3-[4-(2-naphthalen-2-ylethoxy)-5-(pyrazol-1-ylmethyl)thiophen-3-yl]prop-2-enoic acid
CID 10135862
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
3-[4-(2H-benzotriazole-5-carbonylamino)phenyl]prop-2-enoic acid
CID 66965268
(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
CID 177483326

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid (CID 23016735) is (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(C(=O)Nc2ccccc2)cc1OCCc1ccc2ccccc2c1.
What is the InChIKey of (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid?
The InChIKey is DAZSISWMTCUANG-CCEZHUSRSA-N. The full InChI is InChI=1S/C28H23NO4/c30-27(31)15-14-22-12-13-24(28(32)29-25-8-2-1-3-9-25)19-26(22)33-17-16-20-10-11-21-6-4-5-7-23(21)18-20/h1-15,18-19H,16-17H2,(H,29,32)(H,30,31)/b15-14+.
What are the key properties of (E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid?
(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylcarbamoyl)phenyl]prop-2-enoic acid has a molecular weight of 437.50 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 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-(phenylcarbamoyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 23016735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).