N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide

C34H30N2O3 — CID 11598751

IUPACN-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide
SMILESO=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CNc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C34H30N2O3/c37-34(36-38)30-15-13-25(14-16-30)23-26(21-22-39-33-12-6-10-29-9-4-5-11-32(29)33)24-35-31-19-17-28(18-20-31)27-7-2-1-3-8-27/h1-20,23,35,38H,21-22,24H2,(H,36,37)/b26-23-
InChIKeyANHZUODGPOIRMT-RWEWTDSWSA-N
MW514.63 g/mol
LogP7.59
Rot. Bonds10

About N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide

N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide (PubChem CID 11598751) has the molecular formula C34H30N2O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide
PubChem CID11598751
Molecular FormulaC34H30N2O3
Molecular Weight514.63 g/mol
Exact Mass514.23
IUPAC NameN-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide
SMILESO=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CNc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C34H30N2O3/c37-34(36-38)30-15-13-25(14-16-30)23-26(21-22-39-33-12-6-10-29-9-4-5-11-32(29)33)24-35-31-19-17-28(18-20-31)27-7-2-1-3-8-27/h1-20,23,35,38H,21-22,24H2,(H,36,37)/b26-23-
InChIKeyANHZUODGPOIRMT-RWEWTDSWSA-N
XLogP7.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 57.59
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

N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(pyridin-3-ylamino)methyl]but-1-enyl]benzamide
CID 11633550
4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
CID 11495705
4-[(E)-2-[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
CID 87894878
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
CID 11540152
N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide
CID 73048640
4-[2-[[(2-chloro-3-pyridinyl)amino]methyl]-4-naphthalen-1-yloxybut-1-enyl]benzoic acid
CID 90902592
N-hydroxy-4-[(E)-2-[(2-methoxyethylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzamide
CID 87225914
N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide
CID 173185485
N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
CID 91528131
4-[(Z)-2-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 24896815
N-hydroxy-4-[(E)-3-(1-methoxypropan-2-ylamino)-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]benzamide
CID 24898347
4-[(E)-2-[(4-chloronaphthalen-1-yl)oxymethyl]-3-(3,4-dimethoxyanilino)prop-1-enyl]-N-hydroxybenzamide
CID 11642114

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide (CID 11598751) is N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide is O=C(NO)c1ccc(/C=C(/CCOc2cccc3ccccc23)CNc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide?
The InChIKey is ANHZUODGPOIRMT-RWEWTDSWSA-N. The full InChI is InChI=1S/C34H30N2O3/c37-34(36-38)30-15-13-25(14-16-30)23-26(21-22-39-33-12-6-10-29-9-4-5-11-32(29)33)24-35-31-19-17-28(18-20-31)27-7-2-1-3-8-27/h1-20,23,35,38H,21-22,24H2,(H,36,37)/b26-23-.
What are the key properties of N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide?
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide has a molecular weight of 514.63 g/mol, XLogP of 7.59, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide is sourced from PubChem (CID 11598751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).