4-(3-methoxyphenoxy)-N-pentylbutanamide

C16H25NO3 — CID 110486945

IUPAC4-(3-methoxyphenoxy)-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCOc1cccc(OC)c1
InChIInChI=1S/C16H25NO3/c1-3-4-5-11-17-16(18)10-7-12-20-15-9-6-8-14(13-15)19-2/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H,17,18)
InChIKeyUIYRYDDAKSVSGN-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.16
Rot. Bonds10

About 4-(3-methoxyphenoxy)-N-pentylbutanamide

4-(3-methoxyphenoxy)-N-pentylbutanamide (PubChem CID 110486945) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-N-pentylbutanamide.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-N-pentylbutanamide
PubChem CID110486945
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-(3-methoxyphenoxy)-N-pentylbutanamide
SMILESCCCCCNC(=O)CCCOc1cccc(OC)c1
InChIInChI=1S/C16H25NO3/c1-3-4-5-11-17-16(18)10-7-12-20-15-9-6-8-14(13-15)19-2/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H,17,18)
InChIKeyUIYRYDDAKSVSGN-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
(3-methoxyphenyl) 2-(pentanoylamino)ethyl phosphate
CID 18378300
5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
CID 90738357
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-N-pentylbutanamide?
The IUPAC name of 4-(3-methoxyphenoxy)-N-pentylbutanamide (CID 110486945) is 4-(3-methoxyphenoxy)-N-pentylbutanamide.
What is the SMILES notation for 4-(3-methoxyphenoxy)-N-pentylbutanamide?
The canonical SMILES for 4-(3-methoxyphenoxy)-N-pentylbutanamide is CCCCCNC(=O)CCCOc1cccc(OC)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-N-pentylbutanamide?
The InChIKey is UIYRYDDAKSVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-4-5-11-17-16(18)10-7-12-20-15-9-6-8-14(13-15)19-2/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 4-(3-methoxyphenoxy)-N-pentylbutanamide?
4-(3-methoxyphenoxy)-N-pentylbutanamide has a molecular weight of 279.38 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-N-pentylbutanamide is sourced from PubChem (CID 110486945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).