N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide

C14H21NO2 — CID 54916026

IUPACN-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H21NO2/c1-4-5-10-14(17)15(3)11(2)12-8-6-7-9-13(12)16/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyRLTUNMRZQOOSHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.10
Rot. Bonds5

About N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide

N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide (PubChem CID 54916026) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
PubChem CID54916026
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
SMILESCCCCC(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H21NO2/c1-4-5-10-14(17)15(3)11(2)12-8-6-7-9-13(12)16/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyRLTUNMRZQOOSHD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 62590459
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 61042848
6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
CID 65292237
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 81449728
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
N-[1-(4-hydroxyphenyl)ethyl]-N-methylhexanamide
CID 54912821
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide (CID 54916026) is N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide is CCCCC(=O)N(C)C(C)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide?
The InChIKey is RLTUNMRZQOOSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-10-14(17)15(3)11(2)12-8-6-7-9-13(12)16/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide?
N-[1-(2-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-(2-hydroxyphenyl)ethyl]-N-methylpentanamide is sourced from PubChem (CID 54916026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).