2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

C22H29NO2 — CID 132652045

IUPAC2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H29NO2/c1-6-20(21(24)23-15-17-9-7-16(2)8-10-17)25-19-13-11-18(12-14-19)22(3,4)5/h7-14,20H,6,15H2,1-5H3,(H,23,24)
InChIKeyATVMXSYPQWLIAC-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.77
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 132652045) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID132652045
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H29NO2/c1-6-20(21(24)23-15-17-9-7-16(2)8-10-17)25-19-13-11-18(12-14-19)22(3,4)5/h7-14,20H,6,15H2,1-5H3,(H,23,24)
InChIKeyATVMXSYPQWLIAC-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methylphenoxy)butanamide
CID 133211143
2-(4-tert-butylphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132661125
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
2-(4-tert-butylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132663051
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925
2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
CID 132653687

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide (CID 132652045) is 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide is CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is ATVMXSYPQWLIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-20(21(24)23-15-17-9-7-16(2)8-10-17)25-19-13-11-18(12-14-19)22(3,4)5/h7-14,20H,6,15H2,1-5H3,(H,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 339.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 132652045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).