3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide

C15H22N2O — CID 107273406

IUPAC3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
SMILESC=CCCCN(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C15H22N2O/c1-3-4-7-12-17(2)15(18)11-10-13-8-5-6-9-14(13)16/h3,5-6,8-9H,1,4,7,10-12,16H2,2H3
InChIKeyRZZAXEJCJCYGIU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.63
Rot. Bonds7

About 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide

3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide (PubChem CID 107273406) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
PubChem CID107273406
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide
SMILESC=CCCCN(C)C(=O)CCc1ccccc1N
InChIInChI=1S/C15H22N2O/c1-3-4-7-12-17(2)15(18)11-10-13-8-5-6-9-14(13)16/h3,5-6,8-9H,1,4,7,10-12,16H2,2H3
InChIKeyRZZAXEJCJCYGIU-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
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
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide (CID 107273406) is 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide is C=CCCCN(C)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide?
The InChIKey is RZZAXEJCJCYGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-7-12-17(2)15(18)11-10-13-8-5-6-9-14(13)16/h3,5-6,8-9H,1,4,7,10-12,16H2,2H3.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide?
3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-pent-4-enylpropanamide is sourced from PubChem (CID 107273406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).