2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide

C17H28N2O2 — CID 107204085

IUPAC2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCN(CCCCCO)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-19(13-6-3-7-14-20)15-17(21)18-12-8-11-16-9-4-2-5-10-16/h2,4-5,9-10,20H,3,6-8,11-15H2,1H3,(H,18,21)
InChIKeyDTHAZPPJHRXOTC-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.83
Rot. Bonds11

About 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide

2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide (PubChem CID 107204085) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
PubChem CID107204085
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCN(CCCCCO)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-19(13-6-3-7-14-20)15-17(21)18-12-8-11-16-9-4-2-5-10-16/h2,4-5,9-10,20H,3,6-8,11-15H2,1H3,(H,18,21)
InChIKeyDTHAZPPJHRXOTC-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.83
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-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[5-hydroxypentyl(methyl)amino]-N-(2-phenoxyethyl)acetamide
CID 107204277
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide
CID 56584229
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide (CID 107204085) is 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide is CN(CCCCCO)CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is DTHAZPPJHRXOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(13-6-3-7-14-20)15-17(21)18-12-8-11-16-9-4-2-5-10-16/h2,4-5,9-10,20H,3,6-8,11-15H2,1H3,(H,18,21).
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 292.42 g/mol, XLogP of 1.83, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 107204085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).