N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide

C16H27N3O — CID 119885715

IUPACN-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(C)N(C)Cc1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(10-17-3)16(20)18-11-14(2)19(4)12-15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3,(H,18,20)
InChIKeyDWMYLPNBIRSWAA-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.48
Rot. Bonds8

About N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide

N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119885715) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119885715
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(C)N(C)Cc1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(10-17-3)16(20)18-11-14(2)19(4)12-15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3,(H,18,20)
InChIKeyDWMYLPNBIRSWAA-UHFFFAOYSA-N
XLogP1.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide
CID 119885709
N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
CID 131141172
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119864866
2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
CID 119732056
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111780408
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide (CID 119885715) is N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC(C)N(C)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is DWMYLPNBIRSWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(10-17-3)16(20)18-11-14(2)19(4)12-15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3,(H,18,20).
What are the key properties of N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide?
N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 277.41 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119885715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).