4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide

C28H34N2O5 — CID 66812180

IUPAC4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide
SMILESCC(C)Oc1ccc(/C=C(/NC(=O)c2ccc(OCCC3C=CCC3)cc2)C(=O)NCCO)cc1
InChIInChI=1S/C28H34N2O5/c1-20(2)35-25-11-7-22(8-12-25)19-26(28(33)29-16-17-31)30-27(32)23-9-13-24(14-10-23)34-18-15-21-5-3-4-6-21/h3,5,7-14,19-21,31H,4,6,15-18H2,1-2H3,(H,29,33)(H,30,32)/b26-19+
InChIKeyRIIHPAJXIOCADG-LGUFXXKBSA-N
MW478.59 g/mol
LogP4.09
Rot. Bonds12

About 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide

4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide (PubChem CID 66812180) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide
PubChem CID66812180
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide
SMILESCC(C)Oc1ccc(/C=C(/NC(=O)c2ccc(OCCC3C=CCC3)cc2)C(=O)NCCO)cc1
InChIInChI=1S/C28H34N2O5/c1-20(2)35-25-11-7-22(8-12-25)19-26(28(33)29-16-17-31)30-27(32)23-9-13-24(14-10-23)34-18-15-21-5-3-4-6-21/h3,5,7-14,19-21,31H,4,6,15-18H2,1-2H3,(H,29,33)(H,30,32)/b26-19+
InChIKeyRIIHPAJXIOCADG-LGUFXXKBSA-N
XLogP4.09
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyclopropylbutoxy)-N-[3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide
CID 66812008
N-[3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]-4-(4-phenylbutoxy)benzamide
CID 66812684
N-[3-(2-hydroxyethylamino)-3-oxo-1-[4-(trifluoromethoxy)phenyl]prop-1-en-2-yl]-4-[2-(4-propan-2-yloxyphenyl)ethoxy]benzamide
CID 66812201
N-[(E)-1-[4-(difluoromethoxy)phenyl]-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 66812067
N-[(E)-1-(4-cyclopropyloxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-(3-cyclopropylpropoxy)benzamide
CID 69020718
N-[3-(2-hydroxyethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 3129001
N-[1-(4-cyclopropyloxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-(2-phenylethoxy)benzamide
CID 66812193
N-[1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3704032
4-[2-(4-chlorophenyl)ethoxy]-N-[(E)-1-(4-chlorophenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 11978645
2-[[2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]ethyl acetate
CID 3102068
N-[(Z)-1-[4-[2-(difluoromethyl)cyclopropyl]phenyl]-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 162552059
N-[(Z)-1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-[2-(4-iodophenyl)ethoxy]benzamide
CID 66823913

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide?
The IUPAC name of 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide (CID 66812180) is 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide?
The canonical SMILES for 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide is CC(C)Oc1ccc(/C=C(/NC(=O)c2ccc(OCCC3C=CCC3)cc2)C(=O)NCCO)cc1.
What is the InChIKey of 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide?
The InChIKey is RIIHPAJXIOCADG-LGUFXXKBSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-20(2)35-25-11-7-22(8-12-25)19-26(28(33)29-16-17-31)30-27(32)23-9-13-24(14-10-23)34-18-15-21-5-3-4-6-21/h3,5,7-14,19-21,31H,4,6,15-18H2,1-2H3,(H,29,33)(H,30,32)/b26-19+.
What are the key properties of 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide?
4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide has a molecular weight of 478.59 g/mol, XLogP of 4.09, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopent-2-en-1-ylethoxy)-N-[(E)-3-(2-hydroxyethylamino)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 66812180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).