N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide

C22H29NO3 — CID 4949864

IUPACN-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C22H29NO3/c1-5-20(26-21-9-7-6-8-17(21)4)22(24)23-18-10-12-19(13-11-18)25-15-14-16(2)3/h6-13,16,20H,5,14-15H2,1-4H3,(H,23,24)
InChIKeyKDWKNUJOXXUXNZ-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.22
Rot. Bonds9

About N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide

N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide (PubChem CID 4949864) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide
PubChem CID4949864
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C22H29NO3/c1-5-20(26-21-9-7-6-8-17(21)4)22(24)23-18-10-12-19(13-11-18)25-15-14-16(2)3/h6-13,16,20H,5,14-15H2,1-4H3,(H,23,24)
InChIKeyKDWKNUJOXXUXNZ-UHFFFAOYSA-N
XLogP5.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
CID 132653358
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
N-[3-(3-methylbutoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17097350
N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide
CID 42579514
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906
2-(2-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43908529
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide (CID 4949864) is N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(OCCC(C)C)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is KDWKNUJOXXUXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-20(26-21-9-7-6-8-17(21)4)22(24)23-18-10-12-19(13-11-18)25-15-14-16(2)3/h6-13,16,20H,5,14-15H2,1-4H3,(H,23,24).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide?
N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 355.48 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 4949864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).