N-(5-methyl-4-methylidenehexyl)benzamide

C15H21NO — CID 24750673

IUPACN-(5-methyl-4-methylidenehexyl)benzamide
SMILESC=C(CCCNC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C15H21NO/c1-12(2)13(3)8-7-11-16-15(17)14-9-5-4-6-10-14/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H,16,17)
InChIKeyMPPOMTVDMTXXGM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.41
Rot. Bonds6

About N-(5-methyl-4-methylidenehexyl)benzamide

N-(5-methyl-4-methylidenehexyl)benzamide (PubChem CID 24750673) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(5-methyl-4-methylidenehexyl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-4-methylidenehexyl)benzamide
PubChem CID24750673
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(5-methyl-4-methylidenehexyl)benzamide
SMILESC=C(CCCNC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C15H21NO/c1-12(2)13(3)8-7-11-16-15(17)14-9-5-4-6-10-14/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H,16,17)
InChIKeyMPPOMTVDMTXXGM-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-oxopentyl)benzamide
CID 10798281
methyl 4-benzamidobutanoate
CID 13197711
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
trimethylsilyl 4-benzamidobutanoate
CID 10802651
propan-2-yl 3-(4-benzamidobutanoylamino)propanoate
CID 51256546
N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
CID 120653741
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-methylidenehexyl)benzamide?
The IUPAC name of N-(5-methyl-4-methylidenehexyl)benzamide (CID 24750673) is N-(5-methyl-4-methylidenehexyl)benzamide.
What is the SMILES notation for N-(5-methyl-4-methylidenehexyl)benzamide?
The canonical SMILES for N-(5-methyl-4-methylidenehexyl)benzamide is C=C(CCCNC(=O)c1ccccc1)C(C)C.
What is the InChIKey of N-(5-methyl-4-methylidenehexyl)benzamide?
The InChIKey is MPPOMTVDMTXXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)13(3)8-7-11-16-15(17)14-9-5-4-6-10-14/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H,16,17).
What are the key properties of N-(5-methyl-4-methylidenehexyl)benzamide?
N-(5-methyl-4-methylidenehexyl)benzamide has a molecular weight of 231.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-methylidenehexyl)benzamide is sourced from PubChem (CID 24750673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).