N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide

C22H29NO2 — CID 43907479

IUPACN-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCCCCc1ccc(NC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29NO2/c1-5-7-8-18-10-12-19(13-11-18)23-22(24)21(6-2)25-20-14-9-16(3)17(4)15-20/h9-15,21H,5-8H2,1-4H3,(H,23,24)
InChIKeyZUWUNPUYLBCMNM-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.44
Rot. Bonds8

About N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide

N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 43907479) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
PubChem CID43907479
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCCCCc1ccc(NC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H29NO2/c1-5-7-8-18-10-12-19(13-11-18)23-22(24)21(6-2)25-20-14-9-16(3)17(4)15-20/h9-15,21H,5-8H2,1-4H3,(H,23,24)
InChIKeyZUWUNPUYLBCMNM-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 99131438
(2R)-N-(4-butylphenyl)-2-naphthalen-2-yloxybutanamide
CID 28573574
butyl 4-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 92676627
(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94015885
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 46771146
(2S)-2-(3,4-dimethylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 94019252
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide (CID 43907479) is N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide is CCCCc1ccc(NC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is ZUWUNPUYLBCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-7-8-18-10-12-19(13-11-18)23-22(24)21(6-2)25-20-14-9-16(3)17(4)15-20/h9-15,21H,5-8H2,1-4H3,(H,23,24).
What are the key properties of N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 339.48 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 43907479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).