N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide

C15H23NO3 — CID 106843542

IUPACN-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NCCCCO)cc1
InChIInChI=1S/C15H23NO3/c1-13-6-8-14(9-7-13)19-12-4-5-15(18)16-10-2-3-11-17/h6-9,17H,2-5,10-12H2,1H3,(H,16,18)
InChIKeyUERRJQDMUVRWLM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.04
Rot. Bonds9

About N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide

N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide (PubChem CID 106843542) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
PubChem CID106843542
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NCCCCO)cc1
InChIInChI=1S/C15H23NO3/c1-13-6-8-14(9-7-13)19-12-4-5-15(18)16-10-2-3-11-17/h6-9,17H,2-5,10-12H2,1H3,(H,16,18)
InChIKeyUERRJQDMUVRWLM-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.04
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

4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(4-methylphenoxy)propanamide
CID 103801086
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]pyridine-4-carboxamide
CID 108541662

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide (CID 106843542) is N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NCCCCO)cc1.
What is the InChIKey of N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide?
The InChIKey is UERRJQDMUVRWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13-6-8-14(9-7-13)19-12-4-5-15(18)16-10-2-3-11-17/h6-9,17H,2-5,10-12H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide?
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 106843542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).