4-butyl-N-hydroxy-N-phenylbenzamide

C17H19NO2 — CID 14768049

IUPAC4-butyl-N-hydroxy-N-phenylbenzamide
SMILESCCCCc1ccc(C(=O)N(O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-3-7-14-10-12-15(13-11-14)17(19)18(20)16-8-5-4-6-9-16/h4-6,8-13,20H,2-3,7H2,1H3
InChIKeyXKXLQEYBTDEVSU-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.07
Rot. Bonds5

About 4-butyl-N-hydroxy-N-phenylbenzamide

4-butyl-N-hydroxy-N-phenylbenzamide (PubChem CID 14768049) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-butyl-N-hydroxy-N-phenylbenzamide.

Molecular Properties

Compound Name4-butyl-N-hydroxy-N-phenylbenzamide
PubChem CID14768049
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-butyl-N-hydroxy-N-phenylbenzamide
SMILESCCCCc1ccc(C(=O)N(O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-3-7-14-10-12-15(13-11-14)17(19)18(20)16-8-5-4-6-9-16/h4-6,8-13,20H,2-3,7H2,1H3
InChIKeyXKXLQEYBTDEVSU-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-butyl-N,N-diethylbenzamide
CID 60675001
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
butylbenzene;carbonic acid
CID 158278492
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
4-(dimethylamino)-N-hydroxy-N-phenylbenzamide
CID 71402496
4-butylbenzoic acid;zinc
CID 175174767
CID 69445910
CID 69445910
N-hydroxy-N-phenylpentanamide
CID 13199036
N-(4-butylphenyl)-N-phenylnitrous amide
CID 19021333
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-hydroxy-N-phenylbenzamide?
The IUPAC name of 4-butyl-N-hydroxy-N-phenylbenzamide (CID 14768049) is 4-butyl-N-hydroxy-N-phenylbenzamide.
What is the SMILES notation for 4-butyl-N-hydroxy-N-phenylbenzamide?
The canonical SMILES for 4-butyl-N-hydroxy-N-phenylbenzamide is CCCCc1ccc(C(=O)N(O)c2ccccc2)cc1.
What is the InChIKey of 4-butyl-N-hydroxy-N-phenylbenzamide?
The InChIKey is XKXLQEYBTDEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-3-7-14-10-12-15(13-11-14)17(19)18(20)16-8-5-4-6-9-16/h4-6,8-13,20H,2-3,7H2,1H3.
What are the key properties of 4-butyl-N-hydroxy-N-phenylbenzamide?
4-butyl-N-hydroxy-N-phenylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-hydroxy-N-phenylbenzamide is sourced from PubChem (CID 14768049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).