N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide

C23H29NO3 — CID 132655055

IUPACN-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C23H29NO3/c1-4-22(27-21-14-16(2)13-17(3)15-21)23(25)24-18-9-11-20(12-10-18)26-19-7-5-6-8-19/h9-15,19,22H,4-8H2,1-3H3,(H,24,25)
InChIKeyQTMNMMNJGQYVML-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.42
Rot. Bonds7

About N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide

N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide (PubChem CID 132655055) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
PubChem CID132655055
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C23H29NO3/c1-4-22(27-21-14-16(2)13-17(3)15-21)23(25)24-18-9-11-20(12-10-18)26-19-7-5-6-8-19/h9-15,19,22H,4-8H2,1-3H3,(H,24,25)
InChIKeyQTMNMMNJGQYVML-UHFFFAOYSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2-phenoxybutanamide
CID 132651998
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
CID 132653358
N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034445
N-cyclopentyl-2-(3,5-dimethylphenoxy)butanamide
CID 17034466
methyl 4-[2-(3,5-dimethylphenoxy)butanoylamino]benzoate
CID 17034486
2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 132665241
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 53288917
(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
CID 61178379
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide (CID 132655055) is N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide?
The InChIKey is QTMNMMNJGQYVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-22(27-21-14-16(2)13-17(3)15-21)23(25)24-18-9-11-20(12-10-18)26-19-7-5-6-8-19/h9-15,19,22H,4-8H2,1-3H3,(H,24,25).
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide?
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide has a molecular weight of 367.49 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 132655055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).