N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide

C24H33NO3 — CID 133252205

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C24H33NO3/c1-7-21(28-19-13-12-17(2)18(3)16-19)23(26)25-14-15-27-22-11-9-8-10-20(22)24(4,5)6/h8-13,16,21H,7,14-15H2,1-6H3,(H,25,26)
InChIKeyMJXSQKZQIWQYIX-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.95
Rot. Bonds8

About N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide

N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 133252205) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide
PubChem CID133252205
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C24H33NO3/c1-7-21(28-19-13-12-17(2)18(3)16-19)23(26)25-14-15-27-22-11-9-8-10-20(22)24(4,5)6/h8-13,16,21H,7,14-15H2,1-6H3,(H,25,26)
InChIKeyMJXSQKZQIWQYIX-UHFFFAOYSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.95
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-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
(2R)-N-[2-(2-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100549342
N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169459
(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide (CID 133252205) is N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is MJXSQKZQIWQYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-7-21(28-19-13-12-17(2)18(3)16-19)23(26)25-14-15-27-22-11-9-8-10-20(22)24(4,5)6/h8-13,16,21H,7,14-15H2,1-6H3,(H,25,26).
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 383.53 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 133252205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).