4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide

C17H26N2O3 — CID 169452194

IUPAC4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide
SMILESCCCCC(=O)N(CCCC)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21)
InChIKeyRUZXVBRXLWFADZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.12
Rot. Bonds9

About 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide

4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide (PubChem CID 169452194) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide
PubChem CID169452194
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide
SMILESCCCCC(=O)N(CCCC)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21)
InChIKeyRUZXVBRXLWFADZ-UHFFFAOYSA-N
XLogP3.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
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

4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
4-[[2-[[2-(hydroxycarbamoyl)-4-methylpentanoyl]amino]ethyl-pentanoylamino]methyl]benzoic acid
CID 25165633
N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide
CID 143039987
4-[[2-carboxyethyl(propanoyl)amino]methyl]benzoic acid
CID 82323288
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide (CID 169452194) is 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide is CCCCC(=O)N(CCCC)Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is RUZXVBRXLWFADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21).
What are the key properties of 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide?
4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 306.41 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 169452194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).