2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide

C15H24N2O — CID 106590925

IUPAC2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(C)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-5-14(6-2)17(4)15(18)11(3)12-8-7-9-13(16)10-12/h7-11,14H,5-6,16H2,1-4H3
InChIKeyLKPZAZMQVOXFEW-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide

2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide (PubChem CID 106590925) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
PubChem CID106590925
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
SMILESCCC(CC)N(C)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-5-14(6-2)17(4)15(18)11(3)12-8-7-9-13(16)10-12/h7-11,14H,5-6,16H2,1-4H3
InChIKeyLKPZAZMQVOXFEW-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.02
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

2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
2-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 106591084
2-(3-aminophenyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 106591109
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
2-(3-aminophenyl)propanoate
CID 71650577
(2S)-2-amino-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 93248514

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide (CID 106590925) is 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide is CCC(CC)N(C)C(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide?
The InChIKey is LKPZAZMQVOXFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-14(6-2)17(4)15(18)11(3)12-8-7-9-13(16)10-12/h7-11,14H,5-6,16H2,1-4H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide?
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide is sourced from PubChem (CID 106590925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).