3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide

C17H26N2O — CID 120610953

IUPAC3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide
SMILESC=CCCCCCN(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C17H26N2O/c1-3-4-5-6-9-14-19(2)17(20)13-12-15-10-7-8-11-16(15)18/h3,7-8,10-11H,1,4-6,9,12-14,18H2,2H3
InChIKeyWIPYSFKJVHTHNY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.41
Rot. Bonds9

About 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide

3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide (PubChem CID 120610953) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide
PubChem CID120610953
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide
SMILESC=CCCCCCN(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C17H26N2O/c1-3-4-5-6-9-14-19(2)17(20)13-12-15-10-7-8-11-16(15)18/h3,7-8,10-11H,1,4-6,9,12-14,18H2,2H3
InChIKeyWIPYSFKJVHTHNY-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
2-amino-N-hept-6-enyl-N-methylbenzamide
CID 119945566
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
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3-(2-aminophenyl)-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpropanamide
CID 120611859
3-(2-aminophenyl)-N-methyl-N-(2-propan-2-yloxyethyl)propanamide
CID 81062073
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
3-(2-aminophenyl)-N-methyl-N-(2-methylpropyl)propanamide
CID 43309262
2-pent-4-enylaniline
CID 57134945
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide (CID 120610953) is 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide is C=CCCCCCN(C)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide?
The InChIKey is WIPYSFKJVHTHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-4-5-6-9-14-19(2)17(20)13-12-15-10-7-8-11-16(15)18/h3,7-8,10-11H,1,4-6,9,12-14,18H2,2H3.
What are the key properties of 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide?
3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide is sourced from PubChem (CID 120610953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).