N-benzyl-2-(butylamino)-N-methylacetamide

C14H22N2O — CID 54816784

IUPACN-benzyl-2-(butylamino)-N-methylacetamide
SMILESCCCCNCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-4-10-15-11-14(17)16(2)12-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyFTPDEMOBYGIUQY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds7

About N-benzyl-2-(butylamino)-N-methylacetamide

N-benzyl-2-(butylamino)-N-methylacetamide (PubChem CID 54816784) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-benzyl-2-(butylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(butylamino)-N-methylacetamide
PubChem CID54816784
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-benzyl-2-(butylamino)-N-methylacetamide
SMILESCCCCNCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H22N2O/c1-3-4-10-15-11-14(17)16(2)12-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3
InChIKeyFTPDEMOBYGIUQY-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(butylamino)-N-methylpropanamide
CID 109012383
ethyl 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]butanoate
CID 60671815
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-formamido-N-methylacetamide
CID 18618309
N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
2-(butylamino)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 3060237
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
2-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43631787
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
CID 108997410

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(butylamino)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(butylamino)-N-methylacetamide (CID 54816784) is N-benzyl-2-(butylamino)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(butylamino)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(butylamino)-N-methylacetamide is CCCCNCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(butylamino)-N-methylacetamide?
The InChIKey is FTPDEMOBYGIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-10-15-11-14(17)16(2)12-13-8-6-5-7-9-13/h5-9,15H,3-4,10-12H2,1-2H3.
What are the key properties of N-benzyl-2-(butylamino)-N-methylacetamide?
N-benzyl-2-(butylamino)-N-methylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(butylamino)-N-methylacetamide is sourced from PubChem (CID 54816784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).