N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide

C25H27NO3 — CID 14406201

IUPACN-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide
SMILESCCC(Cc1ccccc1)N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-2-23(17-20-9-5-3-6-10-20)26(28)25(27)18-21-13-15-24(16-14-21)29-19-22-11-7-4-8-12-22/h3-16,23,28H,2,17-19H2,1H3
InChIKeyJTKIBFZRUHVVOS-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.05
Rot. Bonds9

About N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide

N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 14406201) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID14406201
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide
SMILESCCC(Cc1ccccc1)N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-2-23(17-20-9-5-3-6-10-20)26(28)25(27)18-21-13-15-24(16-14-21)29-19-22-11-7-4-8-12-22/h3-16,23,28H,2,17-19H2,1H3
InChIKeyJTKIBFZRUHVVOS-UHFFFAOYSA-N
XLogP5.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

KH064
CID 446400
A-63162
CID 121876
2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
CID 44386193
N-(4-benzyloxybenzyl)acetohydroxamic acid
CID 129265
6-[{(2s)-2-Amino-3-[4-(Benzyloxy)phenyl]propyl}(Hydroxy)amino]-6-Oxohexanoic Acid)
CID 23644581
3-isobutyl-4-(4-(3-methyl-2-butenyloxy)phenyl)-1H-pyrrol-1-ol-2,5-dione
CID 641729
N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 729989
6-[[(2S)-2-azaniumyl-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-6-oxohexanoate
CID 44629595
hnpsPLA2-IIa Inhibitor, 2a
CID 57339605
(7S,8R,11S)-7-N-hydroxy-11-N-methyl-9-oxo-8-(4-phenylmethoxybutyl)-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 44306277
(7S,8R,11S)-8-[3-(4-ethoxyphenyl)propyl]-7-N-hydroxy-11-N-methyl-9-oxo-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7,11-dicarboxamide
CID 44330095
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide (CID 14406201) is N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide is CCC(Cc1ccccc1)N(O)C(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is JTKIBFZRUHVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-2-23(17-20-9-5-3-6-10-20)26(28)25(27)18-21-13-15-24(16-14-21)29-19-22-11-7-4-8-12-22/h3-16,23,28H,2,17-19H2,1H3.
What are the key properties of N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide?
N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 389.50 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(1-phenylbutan-2-yl)-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 14406201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).