N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide

C13H19NO4 — CID 139895558

IUPACN-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1ccc(OCCO)cc1
InChIInChI=1S/C13H19NO4/c1-17-9-2-3-13(16)14-11-4-6-12(7-5-11)18-10-8-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyPKFZRMMHUAOUMQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.42
Rot. Bonds8

About N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide

N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide (PubChem CID 139895558) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
PubChem CID139895558
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1ccc(OCCO)cc1
InChIInChI=1S/C13H19NO4/c1-17-9-2-3-13(16)14-11-4-6-12(7-5-11)18-10-8-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16)
InChIKeyPKFZRMMHUAOUMQ-UHFFFAOYSA-N
XLogP1.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(4-butoxyphenyl)butanamide
CID 4939679
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
CID 86981512
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-[4-(2-ethenoxyethoxy)phenyl]pentanamide
CID 102477298
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide?
The IUPAC name of N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide (CID 139895558) is N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide.
What is the SMILES notation for N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide?
The canonical SMILES for N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide is COCCCC(=O)Nc1ccc(OCCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide?
The InChIKey is PKFZRMMHUAOUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-17-9-2-3-13(16)14-11-4-6-12(7-5-11)18-10-8-15/h4-7,15H,2-3,8-10H2,1H3,(H,14,16).
What are the key properties of N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide?
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide has a molecular weight of 253.30 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide is sourced from PubChem (CID 139895558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).