N-[2-(4-methylphenoxy)ethyl]pentanamide

C14H21NO2 — CID 19174784

IUPACN-[2-(4-methylphenoxy)ethyl]pentanamide
SMILESCCCCC(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-3-4-5-14(16)15-10-11-17-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyJOFUCRFMKFHYHT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(4-methylphenoxy)ethyl]pentanamide

N-[2-(4-methylphenoxy)ethyl]pentanamide (PubChem CID 19174784) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]pentanamide
PubChem CID19174784
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(4-methylphenoxy)ethyl]pentanamide
SMILESCCCCC(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-3-4-5-14(16)15-10-11-17-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKeyJOFUCRFMKFHYHT-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
N-[2-(3,4-difluorophenoxy)ethyl]pentanamide
CID 113102441
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]pentanamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]pentanamide (CID 19174784) is N-[2-(4-methylphenoxy)ethyl]pentanamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]pentanamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]pentanamide is CCCCC(=O)NCCOc1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]pentanamide?
The InChIKey is JOFUCRFMKFHYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-5-14(16)15-10-11-17-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]pentanamide?
N-[2-(4-methylphenoxy)ethyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]pentanamide is sourced from PubChem (CID 19174784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).