3-(2-aminophenyl)-N-ethyl-N-propylpropanamide

C14H22N2O — CID 43309247

IUPAC3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
SMILESCCCN(CC)C(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-3-11-16(4-2)14(17)10-9-12-7-5-6-8-13(12)15/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyKKNVSNJYDLBFAN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.46
Rot. Bonds6

About 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide

3-(2-aminophenyl)-N-ethyl-N-propylpropanamide (PubChem CID 43309247) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
PubChem CID43309247
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
SMILESCCCN(CC)C(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-3-11-16(4-2)14(17)10-9-12-7-5-6-8-13(12)15/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyKKNVSNJYDLBFAN-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate
CID 107272868
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
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3-(2-aminophenyl)-N-butyl-N-(2-methoxyethyl)propanamide;hydrochloride
CID 120610634
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
N-[(2-aminophenyl)methyl]-N-ethylheptanamide
CID 114751955
3-[3-(2-aminophenyl)propanoyl-methylamino]propanoic acid
CID 107273041
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
CID 120609604
3-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81061981
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide (CID 43309247) is 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide is CCCN(CC)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide?
The InChIKey is KKNVSNJYDLBFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11-16(4-2)14(17)10-9-12-7-5-6-8-13(12)15/h5-8H,3-4,9-11,15H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide?
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-ethyl-N-propylpropanamide is sourced from PubChem (CID 43309247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).