N-[(3-aminophenyl)methyl]-N-propylpentanamide

C15H24N2O — CID 43383967

IUPACN-[(3-aminophenyl)methyl]-N-propylpentanamide
SMILESCCCCC(=O)N(CCC)Cc1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-3-5-9-15(18)17(10-4-2)12-13-7-6-8-14(16)11-13/h6-8,11H,3-5,9-10,12,16H2,1-2H3
InChIKeyMYGMSGFLASQDSR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.20
Rot. Bonds7

About N-[(3-aminophenyl)methyl]-N-propylpentanamide

N-[(3-aminophenyl)methyl]-N-propylpentanamide (PubChem CID 43383967) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propylpentanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propylpentanamide
PubChem CID43383967
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(3-aminophenyl)methyl]-N-propylpentanamide
SMILESCCCCC(=O)N(CCC)Cc1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-3-5-9-15(18)17(10-4-2)12-13-7-6-8-14(16)11-13/h6-8,11H,3-5,9-10,12,16H2,1-2H3
InChIKeyMYGMSGFLASQDSR-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.20
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

N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103017662
N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
CID 79160910
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-propylpentanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propylpentanamide (CID 43383967) is N-[(3-aminophenyl)methyl]-N-propylpentanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propylpentanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propylpentanamide is CCCCC(=O)N(CCC)Cc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propylpentanamide?
The InChIKey is MYGMSGFLASQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-9-15(18)17(10-4-2)12-13-7-6-8-14(16)11-13/h6-8,11H,3-5,9-10,12,16H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propylpentanamide?
N-[(3-aminophenyl)methyl]-N-propylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-propylpentanamide is sourced from PubChem (CID 43383967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).