N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide

C17H25NO2 — CID 17034466

IUPACN-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NC1CCCC1
InChIInChI=1S/C17H25NO2/c1-4-16(17(19)18-14-7-5-6-8-14)20-15-10-12(2)9-13(3)11-15/h9-11,14,16H,4-8H2,1-3H3,(H,18,19)
InChIKeyADZAMGYCBSTCTO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.52
Rot. Bonds5

About N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide

N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide (PubChem CID 17034466) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
PubChem CID17034466
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NC1CCCC1
InChIInChI=1S/C17H25NO2/c1-4-16(17(19)18-14-7-5-6-8-14)20-15-10-12(2)9-13(3)11-15/h9-11,14,16H,4-8H2,1-3H3,(H,18,19)
InChIKeyADZAMGYCBSTCTO-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,5-dimethylphenoxy)butanamide
CID 100613828
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133264467
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132655055
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2R)-N-cyclopentyl-2-(2,3-dimethylphenoxy)butanamide
CID 92677449
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
CID 94027154

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide (CID 17034466) is N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide?
The InChIKey is ADZAMGYCBSTCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-16(17(19)18-14-7-5-6-8-14)20-15-10-12(2)9-13(3)11-15/h9-11,14,16H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide?
N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide has a molecular weight of 275.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 17034466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).