4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide

C14H20N2O2 — CID 47101423

IUPAC4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide
SMILESCO/N=C/c1ccc(C(=O)NCCC(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)8-9-15-14(17)13-6-4-12(5-7-13)10-16-18-3/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)/b16-10+
InChIKeyOQPZMPHEKGSRJE-MHWRWJLKSA-N
MW248.33 g/mol
LogP2.44
Rot. Bonds6

About 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide

4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide (PubChem CID 47101423) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide
PubChem CID47101423
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide
SMILESCO/N=C/c1ccc(C(=O)NCCC(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)8-9-15-14(17)13-6-4-12(5-7-13)10-16-18-3/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)/b16-10+
InChIKeyOQPZMPHEKGSRJE-MHWRWJLKSA-N
XLogP2.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78804753
4-methoxy-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110977357
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(methoxyiminomethyl)benzamide
CID 76867899
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78776174
4-[3-[(E)-2-(4-methoxyphenyl)ethenyl]anilino]-N-(3-methylbutyl)benzamide
CID 58173024
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78773456
4-(methoxyiminomethyl)-N,N-bis(prop-2-enyl)benzamide
CID 102603422
N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
CID 86835481

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide (CID 47101423) is 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide is CO/N=C/c1ccc(C(=O)NCCC(C)C)cc1.
What is the InChIKey of 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide?
The InChIKey is OQPZMPHEKGSRJE-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)8-9-15-14(17)13-6-4-12(5-7-13)10-16-18-3/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)/b16-10+.
What are the key properties of 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide?
4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 47101423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).