N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide

C14H21NO2 — CID 61042848

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-4-5-6-14(17)15(3)11(2)12-7-9-13(16)10-8-12/h7-11,16H,4-6H2,1-3H3
InChIKeyIWWSBSCPQDCCLI-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.10
Rot. Bonds5

About N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide

N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide (PubChem CID 61042848) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
PubChem CID61042848
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C(C)c1ccc(O)cc1
InChIInChI=1S/C14H21NO2/c1-4-5-6-14(17)15(3)11(2)12-7-9-13(16)10-8-12/h7-11,16H,4-6H2,1-3H3
InChIKeyIWWSBSCPQDCCLI-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
CID 114875153
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
3-(2,2-difluoroethoxy)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 103208632
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
4-hexan-2-ylphenol
CID 12579179

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide (CID 61042848) is N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide is CCCCC(=O)N(C)C(C)c1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide?
The InChIKey is IWWSBSCPQDCCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-6-14(17)15(3)11(2)12-7-9-13(16)10-8-12/h7-11,16H,4-6H2,1-3H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide?
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide has a molecular weight of 235.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide is sourced from PubChem (CID 61042848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).