(Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid

C24H21NO4 — CID 6480711

IUPAC(Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid
SMILESCCc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C24H21NO4/c1-2-18-8-6-7-11-22(18)29-20-14-12-17(13-15-20)16-21(24(27)28)25-23(26)19-9-4-3-5-10-19/h3-16H,2H2,1H3,(H,25,26)(H,27,28)/b21-16-
InChIKeyFMTWVWACYNXLPO-PGMHBOJBSA-N
MW387.44 g/mol
LogP4.90
Rot. Bonds7

About (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid

(Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid (PubChem CID 6480711) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid
PubChem CID6480711
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid
SMILESCCc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C24H21NO4/c1-2-18-8-6-7-11-22(18)29-20-14-12-17(13-15-20)16-21(24(27)28)25-23(26)19-9-4-3-5-10-19/h3-16H,2H2,1H3,(H,25,26)(H,27,28)/b21-16-
InChIKeyFMTWVWACYNXLPO-PGMHBOJBSA-N
XLogP4.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid (CID 6480711) is (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid is CCc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1.
What is the InChIKey of (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid?
The InChIKey is FMTWVWACYNXLPO-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H21NO4/c1-2-18-8-6-7-11-22(18)29-20-14-12-17(13-15-20)16-21(24(27)28)25-23(26)19-9-4-3-5-10-19/h3-16H,2H2,1H3,(H,25,26)(H,27,28)/b21-16-.
What are the key properties of (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid?
(Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid has a molecular weight of 387.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzamido-3-[4-(2-ethylphenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 6480711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).