2-[(2-aminophenyl)methyl-propylamino]propanamide

C13H21N3O — CID 43459967

IUPAC2-[(2-aminophenyl)methyl-propylamino]propanamide
SMILESCCCN(Cc1ccccc1N)C(C)C(N)=O
InChIInChI=1S/C13H21N3O/c1-3-8-16(10(2)13(15)17)9-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3,(H2,15,17)
InChIKeyZVZAPDUTVPBKAJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.35
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-propylamino]propanamide

2-[(2-aminophenyl)methyl-propylamino]propanamide (PubChem CID 43459967) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-propylamino]propanamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-propylamino]propanamide
PubChem CID43459967
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(2-aminophenyl)methyl-propylamino]propanamide
SMILESCCCN(Cc1ccccc1N)C(C)C(N)=O
InChIInChI=1S/C13H21N3O/c1-3-8-16(10(2)13(15)17)9-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3,(H2,15,17)
InChIKeyZVZAPDUTVPBKAJ-UHFFFAOYSA-N
XLogP1.35
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.35
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-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 43459973
2-[(4-aminophenyl)methyl-propylamino]propanamide
CID 43459613
2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
CID 43459417
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide
CID 62899492
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
2-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891825
methyl 2-[(2-aminophenyl)methyl-propylsulfamoyl]propanoate
CID 61458329
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
N-[(2-aminophenyl)methyl]-N-propylcyclopentanecarboxamide
CID 43459851
N-[(2-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460402
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-propylamino]propanamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-propylamino]propanamide (CID 43459967) is 2-[(2-aminophenyl)methyl-propylamino]propanamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-propylamino]propanamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-propylamino]propanamide is CCCN(Cc1ccccc1N)C(C)C(N)=O.
What is the InChIKey of 2-[(2-aminophenyl)methyl-propylamino]propanamide?
The InChIKey is ZVZAPDUTVPBKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-8-16(10(2)13(15)17)9-11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(2-aminophenyl)methyl-propylamino]propanamide?
2-[(2-aminophenyl)methyl-propylamino]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-propylamino]propanamide is sourced from PubChem (CID 43459967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).