N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide

C16H26N2O2 — CID 107203711

IUPACN-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide
SMILESCCN(C(=O)CN(C)CCCCCO)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-18(15-10-6-4-7-11-15)16(20)14-17(2)12-8-5-9-13-19/h4,6-7,10-11,19H,3,5,8-9,12-14H2,1-2H3
InChIKeyOESSFXVIHQXLQU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds9

About N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide

N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide (PubChem CID 107203711) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide
PubChem CID107203711
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide
SMILESCCN(C(=O)CN(C)CCCCCO)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-18(15-10-6-4-7-11-15)16(20)14-17(2)12-8-5-9-13-19/h4,6-7,10-11,19H,3,5,8-9,12-14H2,1-2H3
InChIKeyOESSFXVIHQXLQU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
CID 81494005
N-benzyl-2-[5-hydroxypentyl(methyl)amino]-N-methylacetamide
CID 107204340
octyl(phenyl)carbamic acid
CID 54301990
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-cyclopropyl-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8908925
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
N-hexyl-N-phenylacetamide
CID 13217997
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
2-[5-hydroxypentyl(methyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 107204065
N-ethyl-2-[2-hydroxypropyl(propan-2-yl)amino]-N-phenylacetamide
CID 111108185
2-[5-hydroxypentyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 107204145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide (CID 107203711) is N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide is CCN(C(=O)CN(C)CCCCCO)c1ccccc1.
What is the InChIKey of N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide?
The InChIKey is OESSFXVIHQXLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-18(15-10-6-4-7-11-15)16(20)14-17(2)12-8-5-9-13-19/h4,6-7,10-11,19H,3,5,8-9,12-14H2,1-2H3.
What are the key properties of N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide?
N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-hydroxypentyl(methyl)amino]-N-phenylacetamide is sourced from PubChem (CID 107203711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).