4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide

C14H20N2O2 — CID 143880188

IUPAC4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide
SMILESCCCC/C(C)=N/c1ccc(C(=O)NO)cc1C
InChIInChI=1S/C14H20N2O2/c1-4-5-6-11(3)15-13-8-7-12(9-10(13)2)14(17)16-18/h7-9,18H,4-6H2,1-3H3,(H,16,17)/b15-11+
InChIKeyAFUDMJZUUWKWMW-RVDMUPIBSA-N
MW248.33 g/mol
LogP3.40
Rot. Bonds5

About 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide

4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide (PubChem CID 143880188) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide.

Molecular Properties

Compound Name4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide
PubChem CID143880188
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide
SMILESCCCC/C(C)=N/c1ccc(C(=O)NO)cc1C
InChIInChI=1S/C14H20N2O2/c1-4-5-6-11(3)15-13-8-7-12(9-10(13)2)14(17)16-18/h7-9,18H,4-6H2,1-3H3,(H,16,17)/b15-11+
InChIKeyAFUDMJZUUWKWMW-RVDMUPIBSA-N
XLogP3.40
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-hexan-2-ylideneamino]-3,4-dimethylbenzamide
CID 19685456
3-bromo-N-(hexan-2-ylideneamino)-4-methylbenzamide
CID 3260690
4-[(1-amino-2-chloroethylidene)amino]-3-methyl-N-propylbenzamide
CID 169366016
3-bromo-N-[(E)-heptan-3-ylideneamino]-4-methylbenzamide
CID 54785013
N-(hexan-2-ylideneamino)-3-methylbenzamide
CID 5109597
1-(4-bromo-3-methylphenyl)pentan-1-one
CID 54759050
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
4-azido-3-methyl-N-propylbenzamide
CID 150918172
N'-butyl-3,4-dimethylbenzohydrazide
CID 162213335
N-hexyl-3,4-dimethylbenzamide
CID 4523484
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide?
The IUPAC name of 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide (CID 143880188) is 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide.
What is the SMILES notation for 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide?
The canonical SMILES for 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide is CCCC/C(C)=N/c1ccc(C(=O)NO)cc1C.
What is the InChIKey of 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide?
The InChIKey is AFUDMJZUUWKWMW-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-5-6-11(3)15-13-8-7-12(9-10(13)2)14(17)16-18/h7-9,18H,4-6H2,1-3H3,(H,16,17)/b15-11+.
What are the key properties of 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide?
4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-2-ylideneamino)-N-hydroxy-3-methylbenzamide is sourced from PubChem (CID 143880188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).