N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide

C17H25NO2 — CID 102197886

IUPACN-methoxy-2-(2-methyloct-2-en-4-yl)benzamide
SMILESCCCCC(C=C(C)C)c1ccccc1C(=O)NOC
InChIInChI=1S/C17H25NO2/c1-5-6-9-14(12-13(2)3)15-10-7-8-11-16(15)17(19)18-20-4/h7-8,10-12,14H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyDIBHJSUKFHDHJX-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.22
Rot. Bonds7

About N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide

N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide (PubChem CID 102197886) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide.

Molecular Properties

Compound NameN-methoxy-2-(2-methyloct-2-en-4-yl)benzamide
PubChem CID102197886
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-methoxy-2-(2-methyloct-2-en-4-yl)benzamide
SMILESCCCCC(C=C(C)C)c1ccccc1C(=O)NOC
InChIInChI=1S/C17H25NO2/c1-5-6-9-14(12-13(2)3)15-10-7-8-11-16(15)17(19)18-20-4/h7-8,10-12,14H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyDIBHJSUKFHDHJX-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide
CID 102197888
CID 66858642
CID 66858642
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CID 154081112
[2-(methoxycarbamoyl)phenyl] acetate
CID 59130426
2-(1-fluorobutyl)benzohydrazide
CID 146469661
2-[(1S)-1-acetyloxypentyl]benzoic acid
CID 71606428
2-O-[2-[2-[3-(2-acetyloxyethoxy)-3-oxopropyl]hexanoyloxy]ethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 155795838
dimethyl 2-(2-acetylphenyl)propanedioate
CID 102293568
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
benzyl 2-butylhexanoate
CID 175287311
2-(1-hydroxypentyl)benzoate
CID 23069675
2-[1-(hydroxyamino)butyl]-N-methylbenzamide
CID 134294067

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide?
The IUPAC name of N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide (CID 102197886) is N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide.
What is the SMILES notation for N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide?
The canonical SMILES for N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide is CCCCC(C=C(C)C)c1ccccc1C(=O)NOC.
What is the InChIKey of N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide?
The InChIKey is DIBHJSUKFHDHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-6-9-14(12-13(2)3)15-10-7-8-11-16(15)17(19)18-20-4/h7-8,10-12,14H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide?
N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide has a molecular weight of 275.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(2-methyloct-2-en-4-yl)benzamide is sourced from PubChem (CID 102197886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).