4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide

C16H24N2O3 — CID 11185445

IUPAC4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-11-18(12-6-4-2)16(20)14-9-7-13(8-10-14)15(19)17-21/h7-10,21H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyQDTBBQHCIHBUEP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.85
Rot. Bonds8

About 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide

4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 11185445) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID11185445
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-11-18(12-6-4-2)16(20)14-9-7-13(8-10-14)15(19)17-21/h7-10,21H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyQDTBBQHCIHBUEP-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.85
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-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide
CID 169452194
4-bromo-N,N-dipentylbenzamide
CID 4599077
4-amino-N-butyl-N-propylbenzamide
CID 127119640
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
4-ethyl-N,N-dihexylbenzamide
CID 533235
4-amino-N,N-didodecylbenzamide
CID 5077826
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816084

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide (CID 11185445) is 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide is CCCCN(CCCC)C(=O)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is QDTBBQHCIHBUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-5-11-18(12-6-4-2)16(20)14-9-7-13(8-10-14)15(19)17-21/h7-10,21H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide?
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 11185445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).