2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide

C24H27NO2 — CID 132654391

IUPAC2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H27NO2/c1-5-22(27-19-15-13-18(14-16-19)24(2,3)4)23(26)25-21-12-8-10-17-9-6-7-11-20(17)21/h6-16,22H,5H2,1-4H3,(H,25,26)
InChIKeyLMGOCDJKFJZVLG-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.93
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide

2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide (PubChem CID 132654391) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
PubChem CID132654391
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H27NO2/c1-5-22(27-19-15-13-18(14-16-19)24(2,3)4)23(26)25-21-12-8-10-17-9-6-7-11-20(17)21/h6-16,22H,5H2,1-4H3,(H,25,26)
InChIKeyLMGOCDJKFJZVLG-UHFFFAOYSA-N
XLogP5.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-naphthalen-1-ylbutanamide
CID 100641347
4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide
CID 46770841
2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide
CID 132670970
(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94019853
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 93486668
4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide
CID 94027963
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
2-(4-ethylphenoxy)-N-naphthalen-1-ylpropanamide
CID 4953259

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide (CID 132654391) is 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide is CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide?
The InChIKey is LMGOCDJKFJZVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-5-22(27-19-15-13-18(14-16-19)24(2,3)4)23(26)25-21-12-8-10-17-9-6-7-11-20(17)21/h6-16,22H,5H2,1-4H3,(H,25,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide?
2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide has a molecular weight of 361.49 g/mol, XLogP of 5.93, 5 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-naphthalen-1-ylbutanamide is sourced from PubChem (CID 132654391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).