N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide

C22H23NO2 — CID 43876560

IUPACN-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H23NO2/c1-3-21(22(24)23-15-17-10-8-16(2)9-11-17)25-20-13-12-18-6-4-5-7-19(18)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24)
InChIKeyAEHZFTMZXFMLTO-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.62
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide

N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 43876560) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
PubChem CID43876560
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H23NO2/c1-3-21(22(24)23-15-17-10-8-16(2)9-11-17)25-20-13-12-18-6-4-5-7-19(18)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24)
InChIKeyAEHZFTMZXFMLTO-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 99951850
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 132652045
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide (CID 43876560) is N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is AEHZFTMZXFMLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-21(22(24)23-15-17-10-8-16(2)9-11-17)25-20-13-12-18-6-4-5-7-19(18)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24).
What are the key properties of N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 333.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 43876560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).