4-[(3-aminophenyl)methyl-propylamino]benzamide

C17H21N3O — CID 60877204

IUPAC4-[(3-aminophenyl)methyl-propylamino]benzamide
SMILESCCCN(Cc1cccc(N)c1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-2-10-20(12-13-4-3-5-15(18)11-13)16-8-6-14(7-9-16)17(19)21/h3-9,11H,2,10,12,18H2,1H3,(H2,19,21)
InChIKeyMJJMGPRTKKOPAU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.78
Rot. Bonds6

About 4-[(3-aminophenyl)methyl-propylamino]benzamide

4-[(3-aminophenyl)methyl-propylamino]benzamide (PubChem CID 60877204) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[(3-aminophenyl)methyl-propylamino]benzamide.

Molecular Properties

Compound Name4-[(3-aminophenyl)methyl-propylamino]benzamide
PubChem CID60877204
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[(3-aminophenyl)methyl-propylamino]benzamide
SMILESCCCN(Cc1cccc(N)c1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-2-10-20(12-13-4-3-5-15(18)11-13)16-8-6-14(7-9-16)17(19)21/h3-9,11H,2,10,12,18H2,1H3,(H2,19,21)
InChIKeyMJJMGPRTKKOPAU-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

2-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60876866
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
3-[(dipropylamino)methyl]benzamide
CID 82041313
4-[(3-aminophenyl)methyl-propylamino]-2-bromobenzonitrile
CID 107281139
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
4-[(3-amino-N-methylanilino)methyl]benzamide
CID 61295633

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminophenyl)methyl-propylamino]benzamide?
The IUPAC name of 4-[(3-aminophenyl)methyl-propylamino]benzamide (CID 60877204) is 4-[(3-aminophenyl)methyl-propylamino]benzamide.
What is the SMILES notation for 4-[(3-aminophenyl)methyl-propylamino]benzamide?
The canonical SMILES for 4-[(3-aminophenyl)methyl-propylamino]benzamide is CCCN(Cc1cccc(N)c1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-aminophenyl)methyl-propylamino]benzamide?
The InChIKey is MJJMGPRTKKOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-10-20(12-13-4-3-5-15(18)11-13)16-8-6-14(7-9-16)17(19)21/h3-9,11H,2,10,12,18H2,1H3,(H2,19,21).
What are the key properties of 4-[(3-aminophenyl)methyl-propylamino]benzamide?
4-[(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 4-[(3-aminophenyl)methyl-propylamino]benzamide is sourced from PubChem (CID 60877204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).