N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide

C23H31NO3 — CID 133211143

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31NO3/c1-6-21(27-20-11-7-17(2)8-12-20)22(25)24-15-16-26-19-13-9-18(10-14-19)23(3,4)5/h7-14,21H,6,15-16H2,1-5H3,(H,24,25)
InChIKeyVTJRJMRBQLULSA-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.65
Rot. Bonds8

About N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide (PubChem CID 133211143) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
PubChem CID133211143
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31NO3/c1-6-21(27-20-11-7-17(2)8-12-20)22(25)24-15-16-26-19-13-9-18(10-14-19)23(3,4)5/h7-14,21H,6,15-16H2,1-5H3,(H,24,25)
InChIKeyVTJRJMRBQLULSA-UHFFFAOYSA-N
XLogP4.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.65
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-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 132652045
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 133211130
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 132652207
2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132661125
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229475
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717
2-(4-tert-butylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132663051
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide (CID 133211143) is N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide?
The InChIKey is VTJRJMRBQLULSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-6-21(27-20-11-7-17(2)8-12-20)22(25)24-15-16-26-19-13-9-18(10-14-19)23(3,4)5/h7-14,21H,6,15-16H2,1-5H3,(H,24,25).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide has a molecular weight of 369.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 133211143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).