2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide

C15H25N3O — CID 43089029

IUPAC2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O/c1-13(15(19)16-2)17-10-7-11-18(3)12-14-8-5-4-6-9-14/h4-6,8-9,13,17H,7,10-12H2,1-3H3,(H,16,19)
InChIKeySEMIYAOBQRBCPV-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.23
Rot. Bonds8

About 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide

2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide (PubChem CID 43089029) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
PubChem CID43089029
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC Name2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O/c1-13(15(19)16-2)17-10-7-11-18(3)12-14-8-5-4-6-9-14/h4-6,8-9,13,17H,7,10-12H2,1-3H3,(H,16,19)
InChIKeySEMIYAOBQRBCPV-UHFFFAOYSA-N
XLogP1.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.23
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

2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylpropanamide
CID 43089275
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
CID 115707813
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43089232
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
CID 43089243
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
CID 28577546

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide?
The IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide (CID 43089029) is 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide is CNC(=O)C(C)NCCCN(C)Cc1ccccc1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide?
The InChIKey is SEMIYAOBQRBCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(15(19)16-2)17-10-7-11-18(3)12-14-8-5-4-6-9-14/h4-6,8-9,13,17H,7,10-12H2,1-3H3,(H,16,19).
What are the key properties of 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide?
2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide has a molecular weight of 263.39 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide is sourced from PubChem (CID 43089029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).