4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide

C27H30N2O3 — CID 11495705

IUPAC4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CNC2CCCC2)cc1
InChIInChI=1S/C27H30N2O3/c30-27(29-31)23-14-12-20(13-15-23)18-21(19-28-24-8-2-3-9-24)16-17-32-26-11-5-7-22-6-1-4-10-25(22)26/h1,4-7,10-15,18,24,28,31H,2-3,8-9,16-17,19H2,(H,29,30)/b21-18-
InChIKeyONFNSJXQBCPSHQ-UZYVYHOESA-N
MW430.55 g/mol
LogP5.34
Rot. Bonds9

About 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide

4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide (PubChem CID 11495705) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
PubChem CID11495705
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CNC2CCCC2)cc1
InChIInChI=1S/C27H30N2O3/c30-27(29-31)23-14-12-20(13-15-23)18-21(19-28-24-8-2-3-9-24)16-17-32-26-11-5-7-22-6-1-4-10-25(22)26/h1,4-7,10-15,18,24,28,31H,2-3,8-9,16-17,19H2,(H,29,30)/b21-18-
InChIKeyONFNSJXQBCPSHQ-UZYVYHOESA-N
XLogP5.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 74349235
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide
CID 11598751
methyl 4-[(Z)-2-[(cyclohexylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 140547254
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide
CID 11633550
N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide
CID 73048640
4-[(E)-2-[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
CID 87894878
4-[2-[[(1-cyclopentylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987184
N-hydroxy-4-[(E)-2-[(2-methoxyethylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzamide
CID 87225914
4-[2-[[(1-ethylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987208
4-[(E)-2-[[(1-ethylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-(oxan-2-yloxy)benzamide
CID 87225916
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
CID 11540152
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide
CID 142687448

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide (CID 11495705) is 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide is O=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CNC2CCCC2)cc1.
What is the InChIKey of 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide?
The InChIKey is ONFNSJXQBCPSHQ-UZYVYHOESA-N. The full InChI is InChI=1S/C27H30N2O3/c30-27(29-31)23-14-12-20(13-15-23)18-21(19-28-24-8-2-3-9-24)16-17-32-26-11-5-7-22-6-1-4-10-25(22)26/h1,4-7,10-15,18,24,28,31H,2-3,8-9,16-17,19H2,(H,29,30)/b21-18-.
What are the key properties of 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide?
4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide has a molecular weight of 430.55 g/mol, XLogP of 5.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide is sourced from PubChem (CID 11495705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).