N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide

C14H22N2O — CID 71063617

IUPACN-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCN(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-13(17)16(3)11-7-10-15(2)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyPJJGEJLJIMBAOY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.99
Rot. Bonds6

About N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide

N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide (PubChem CID 71063617) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
PubChem CID71063617
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
SMILESCC(=O)N(C)CCCN(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-13(17)16(3)11-7-10-15(2)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyPJJGEJLJIMBAOY-UHFFFAOYSA-N
XLogP1.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
bis[3-[benzyl(methyl)amino]propyl] carbonate
CID 18944362
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
CID 100998037
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
bis[3-[benzyl(methyl)amino]propyl] carbonate;hydrate;dihydrochloride
CID 18944361
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
9-[benzyl(methyl)amino]nonane-1-thiol
CID 105344021
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide (CID 71063617) is N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide is CC(=O)N(C)CCCN(C)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide?
The InChIKey is PJJGEJLJIMBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-13(17)16(3)11-7-10-15(2)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3.
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide?
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide has a molecular weight of 234.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide is sourced from PubChem (CID 71063617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).