N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide

C16H26N2O2 — CID 107204340

IUPACN-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
SMILESCN(CCCCCO)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-17(11-7-4-8-12-19)14-16(20)18(2)13-15-9-5-3-6-10-15/h3,5-6,9-10,19H,4,7-8,11-14H2,1-2H3
InChIKeyJYBWBGIAHXKNMD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.74
Rot. Bonds9

About N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide

N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide (PubChem CID 107204340) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
PubChem CID107204340
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
SMILESCN(CCCCCO)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-17(11-7-4-8-12-19)14-16(20)18(2)13-15-9-5-3-6-10-15/h3,5-6,9-10,19H,4,7-8,11-14H2,1-2H3
InChIKeyJYBWBGIAHXKNMD-UHFFFAOYSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide
CID 107203711
N-benzyl-2-[N-(2-hydroxyethyl)anilino]-N-methylacetamide
CID 110877169
N-[(5-chlorothiophen-2-yl)methyl]-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204311
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-[benzyl(methyl)amino]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 86861731
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
CID 119928823
N-benzyl-N-methylpentanamide
CID 4629611

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide (CID 107204340) is N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide is CN(CCCCCO)CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide?
The InChIKey is JYBWBGIAHXKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17(11-7-4-8-12-19)14-16(20)18(2)13-15-9-5-3-6-10-15/h3,5-6,9-10,19H,4,7-8,11-14H2,1-2H3.
What are the key properties of N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide?
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide has a molecular weight of 278.40 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 107204340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).