N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide

C18H22N2O — CID 43459651

IUPACN-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-11-20(14-16-9-6-10-17(19)12-16)18(21)13-15-7-4-3-5-8-15/h3-10,12H,2,11,13-14,19H2,1H3
InChIKeyCHRQLXKUJNHMDC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds6

About N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide

N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide (PubChem CID 43459651) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
PubChem CID43459651
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-11-20(14-16-9-6-10-17(19)12-16)18(21)13-15-7-4-3-5-8-15/h3-10,12H,2,11,13-14,19H2,1H3
InChIKeyCHRQLXKUJNHMDC-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
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-propylpentanamide
CID 43383967
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
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
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
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide (CID 43459651) is N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide is CCCN(Cc1cccc(N)c1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide?
The InChIKey is CHRQLXKUJNHMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-11-20(14-16-9-6-10-17(19)12-16)18(21)13-15-7-4-3-5-8-15/h3-10,12H,2,11,13-14,19H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide?
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 43459651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).