2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide

C20H25NO2 — CID 90049516

IUPAC2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide
SMILESCc1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1C
InChIInChI=1S/C20H25NO2/c1-15-7-8-18(13-16(15)2)6-4-3-5-17-9-11-19(12-10-17)14-20(22)21-23/h7-13,23H,3-6,14H2,1-2H3,(H,21,22)
InChIKeyIIRVDSFKXUSREL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.92
Rot. Bonds7

About 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide

2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide (PubChem CID 90049516) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide
PubChem CID90049516
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide
SMILESCc1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1C
InChIInChI=1S/C20H25NO2/c1-15-7-8-18(13-16(15)2)6-4-3-5-17-9-11-19(12-10-17)14-20(22)21-23/h7-13,23H,3-6,14H2,1-2H3,(H,21,22)
InChIKeyIIRVDSFKXUSREL-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
N-hydroxy-2-[4-[4-(2,4,5-trifluorophenyl)butyl]phenyl]acetamide
CID 24757338
(3,4-dimethylphenyl)-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]carbamic acid
CID 87884333
6-(3,4-dimethylphenyl)-2-methylhexan-3-one
CID 64504298
methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate
CID 73426367
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
N-hydroxy-2-[4-[4-[4-[(2-hydroxyacetyl)amino]phenyl]butyl]phenyl]acetamide
CID 73425834
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide (CID 90049516) is 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide is Cc1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1C.
What is the InChIKey of 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide?
The InChIKey is IIRVDSFKXUSREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-7-8-18(13-16(15)2)6-4-3-5-17-9-11-19(12-10-17)14-20(22)21-23/h7-13,23H,3-6,14H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide?
2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide has a molecular weight of 311.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide is sourced from PubChem (CID 90049516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).