2-amino-N-hept-6-enyl-N-methylbenzamide

C15H22N2O — CID 119945566

IUPAC2-amino-N-hept-6-enyl-N-methylbenzamide
SMILESC=CCCCCCN(C)C(=O)c1ccccc1N
InChIInChI=1S/C15H22N2O/c1-3-4-5-6-9-12-17(2)15(18)13-10-7-8-11-14(13)16/h3,7-8,10-11H,1,4-6,9,12,16H2,2H3
InChIKeyMNHCAGVNMSIDTB-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.09
Rot. Bonds7

About 2-amino-N-hept-6-enyl-N-methylbenzamide

2-amino-N-hept-6-enyl-N-methylbenzamide (PubChem CID 119945566) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-N-hept-6-enyl-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-hept-6-enyl-N-methylbenzamide
PubChem CID119945566
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-N-hept-6-enyl-N-methylbenzamide
SMILESC=CCCCCCN(C)C(=O)c1ccccc1N
InChIInChI=1S/C15H22N2O/c1-3-4-5-6-9-12-17(2)15(18)13-10-7-8-11-14(13)16/h3,7-8,10-11H,1,4-6,9,12,16H2,2H3
InChIKeyMNHCAGVNMSIDTB-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.09
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-hept-6-enyl-N-methylpropanamide
CID 120610953
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
(2S)-2-amino-N-hept-6-enyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119328123
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
CID 107273406
2-[2-[methyl(pent-4-enyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119185968
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185
2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
CID 115702280
2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide
CID 15894070
5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640332
2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hept-6-enyl-N-methylbenzamide?
The IUPAC name of 2-amino-N-hept-6-enyl-N-methylbenzamide (CID 119945566) is 2-amino-N-hept-6-enyl-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-hept-6-enyl-N-methylbenzamide?
The canonical SMILES for 2-amino-N-hept-6-enyl-N-methylbenzamide is C=CCCCCCN(C)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-hept-6-enyl-N-methylbenzamide?
The InChIKey is MNHCAGVNMSIDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-5-6-9-12-17(2)15(18)13-10-7-8-11-14(13)16/h3,7-8,10-11H,1,4-6,9,12,16H2,2H3.
What are the key properties of 2-amino-N-hept-6-enyl-N-methylbenzamide?
2-amino-N-hept-6-enyl-N-methylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hept-6-enyl-N-methylbenzamide is sourced from PubChem (CID 119945566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).