2-[(3-aminophenyl)methyl-propylamino]benzamide

C17H21N3O — CID 60876866

IUPAC2-[(3-aminophenyl)methyl-propylamino]benzamide
SMILESCCCN(Cc1cccc(N)c1)c1ccccc1C(N)=O
InChIInChI=1S/C17H21N3O/c1-2-10-20(12-13-6-5-7-14(18)11-13)16-9-4-3-8-15(16)17(19)21/h3-9,11H,2,10,12,18H2,1H3,(H2,19,21)
InChIKeyXFTKLAJYWBGVEJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.78
Rot. Bonds6

About 2-[(3-aminophenyl)methyl-propylamino]benzamide

2-[(3-aminophenyl)methyl-propylamino]benzamide (PubChem CID 60876866) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-propylamino]benzamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-propylamino]benzamide
PubChem CID60876866
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(3-aminophenyl)methyl-propylamino]benzamide
SMILESCCCN(Cc1cccc(N)c1)c1ccccc1C(N)=O
InChIInChI=1S/C17H21N3O/c1-2-10-20(12-13-6-5-7-14(18)11-13)16-9-4-3-8-15(16)17(19)21/h3-9,11H,2,10,12,18H2,1H3,(H2,19,21)
InChIKeyXFTKLAJYWBGVEJ-UHFFFAOYSA-N
XLogP2.78
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60877204
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
5-amino-2-[benzyl(ethyl)amino]benzamide
CID 61307466
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
CID 104777664
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
2-amino-3-[cyclopropylmethyl(propyl)amino]benzamide
CID 113332696
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-propylamino]benzamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-propylamino]benzamide (CID 60876866) is 2-[(3-aminophenyl)methyl-propylamino]benzamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-propylamino]benzamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-propylamino]benzamide is CCCN(Cc1cccc(N)c1)c1ccccc1C(N)=O.
What is the InChIKey of 2-[(3-aminophenyl)methyl-propylamino]benzamide?
The InChIKey is XFTKLAJYWBGVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-10-20(12-13-6-5-7-14(18)11-13)16-9-4-3-8-15(16)17(19)21/h3-9,11H,2,10,12,18H2,1H3,(H2,19,21).
What are the key properties of 2-[(3-aminophenyl)methyl-propylamino]benzamide?
2-[(3-aminophenyl)methyl-propylamino]benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-propylamino]benzamide is sourced from PubChem (CID 60876866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).