3-[2-[benzyl(methyl)amino]ethylamino]propanamide

C13H21N3O — CID 130877851

IUPAC3-[2-[benzyl(methyl)amino]ethylamino]propanamide
SMILESCN(CCNCCC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H21N3O/c1-16(10-9-15-8-7-13(14)17)11-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H2,14,17)
InChIKeyKITRUEQPNGIMAR-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.58
Rot. Bonds8

About 3-[2-[benzyl(methyl)amino]ethylamino]propanamide

3-[2-[benzyl(methyl)amino]ethylamino]propanamide (PubChem CID 130877851) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-[benzyl(methyl)amino]ethylamino]propanamide.

Molecular Properties

Compound Name3-[2-[benzyl(methyl)amino]ethylamino]propanamide
PubChem CID130877851
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[2-[benzyl(methyl)amino]ethylamino]propanamide
SMILESCN(CCNCCC(N)=O)Cc1ccccc1
InChIInChI=1S/C13H21N3O/c1-16(10-9-15-8-7-13(14)17)11-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H2,14,17)
InChIKeyKITRUEQPNGIMAR-UHFFFAOYSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N'-benzyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 131207952
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 131135869
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 62844322
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
CID 77025961
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(methyl)amino]ethylamino]propanamide?
The IUPAC name of 3-[2-[benzyl(methyl)amino]ethylamino]propanamide (CID 130877851) is 3-[2-[benzyl(methyl)amino]ethylamino]propanamide.
What is the SMILES notation for 3-[2-[benzyl(methyl)amino]ethylamino]propanamide?
The canonical SMILES for 3-[2-[benzyl(methyl)amino]ethylamino]propanamide is CN(CCNCCC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-[2-[benzyl(methyl)amino]ethylamino]propanamide?
The InChIKey is KITRUEQPNGIMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(10-9-15-8-7-13(14)17)11-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H2,14,17).
What are the key properties of 3-[2-[benzyl(methyl)amino]ethylamino]propanamide?
3-[2-[benzyl(methyl)amino]ethylamino]propanamide has a molecular weight of 235.33 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(methyl)amino]ethylamino]propanamide is sourced from PubChem (CID 130877851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).