2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide

C16H26N2O2 — CID 107204145

IUPAC2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)CCCCCO)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-14(15-9-5-3-6-10-15)17-16(20)13-18(2)11-7-4-8-12-19/h3,5-6,9-10,14,19H,4,7-8,11-13H2,1-2H3,(H,17,20)
InChIKeyZMNVGDHISBIKRB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.96
Rot. Bonds9

About 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide

2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide (PubChem CID 107204145) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
PubChem CID107204145
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)CCCCCO)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-14(15-9-5-3-6-10-15)17-16(20)13-18(2)11-7-4-8-12-19/h3,5-6,9-10,14,19H,4,7-8,11-13H2,1-2H3,(H,17,20)
InChIKeyZMNVGDHISBIKRB-UHFFFAOYSA-N
XLogP1.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.96
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-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107203732
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[2-hydroxyethyl(methyl)amino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 110880775
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 111488794
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
CID 56539587
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide (CID 107204145) is 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)CCCCCO)c1ccccc1.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide?
The InChIKey is ZMNVGDHISBIKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-14(15-9-5-3-6-10-15)17-16(20)13-18(2)11-7-4-8-12-19/h3,5-6,9-10,14,19H,4,7-8,11-13H2,1-2H3,(H,17,20).
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide?
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.96, 9 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 107204145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).