2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide

C29H28N2O4 — CID 74440151

IUPAC2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide
SMILESO=C(C=Cc1ccc(C=C(C(=O)Nc2ccccc2)c2cccc(OC3CCCC3)c2)cc1)NO
InChIInChI=1S/C29H28N2O4/c32-28(31-34)18-17-21-13-15-22(16-14-21)19-27(29(33)30-24-8-2-1-3-9-24)23-7-6-12-26(20-23)35-25-10-4-5-11-25/h1-3,6-9,12-20,25,34H,4-5,10-11H2,(H,30,33)(H,31,32)
InChIKeyVNGXPHUVRBXQTP-UHFFFAOYSA-N
MW468.55 g/mol
LogP5.71
Rot. Bonds8

About 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide

2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide (PubChem CID 74440151) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide
PubChem CID74440151
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC Name2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide
SMILESO=C(C=Cc1ccc(C=C(C(=O)Nc2ccccc2)c2cccc(OC3CCCC3)c2)cc1)NO
InChIInChI=1S/C29H28N2O4/c32-28(31-34)18-17-21-13-15-22(16-14-21)19-27(29(33)30-24-8-2-1-3-9-24)23-7-6-12-26(20-23)35-25-10-4-5-11-25/h1-3,6-9,12-20,25,34H,4-5,10-11H2,(H,30,33)(H,31,32)
InChIKeyVNGXPHUVRBXQTP-UHFFFAOYSA-N
XLogP5.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-cyclopentyloxyphenyl)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 87567769
3-(4-cyclopentyloxyphenyl)-N-cyclopropyl-2-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 74440262
4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55564049
(E)-N-cyclopropyl-2-(3-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25267317
3-cyclopentyloxybenzamide
CID 71932153
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
(E)-3-(3-cyclohexyloxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 167901824
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
(E)-N-(3-cyclopentyloxyphenyl)-2-phenylethenesulfonamide
CID 35547764
N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 87568008
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 25266613

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide?
The IUPAC name of 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide (CID 74440151) is 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide.
What is the SMILES notation for 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide?
The canonical SMILES for 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide is O=C(C=Cc1ccc(C=C(C(=O)Nc2ccccc2)c2cccc(OC3CCCC3)c2)cc1)NO.
What is the InChIKey of 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide?
The InChIKey is VNGXPHUVRBXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4/c32-28(31-34)18-17-21-13-15-22(16-14-21)19-27(29(33)30-24-8-2-1-3-9-24)23-7-6-12-26(20-23)35-25-10-4-5-11-25/h1-3,6-9,12-20,25,34H,4-5,10-11H2,(H,30,33)(H,31,32).
What are the key properties of 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide?
2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide has a molecular weight of 468.55 g/mol, XLogP of 5.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide is sourced from PubChem (CID 74440151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).