(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide

C22H23NO3 — CID 94018484

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H23NO3/c1-3-21(22(24)23-15-16-8-11-19(25-2)12-9-16)26-20-13-10-17-6-4-5-7-18(17)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyIPCAEAVMAWXVAQ-NRFANRHFSA-N
MW349.43 g/mol
LogP4.32
Rot. Bonds7

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

(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 94018484) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
PubChem CID94018484
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H23NO3/c1-3-21(22(24)23-15-16-8-11-19(25-2)12-9-16)26-20-13-10-17-6-4-5-7-18(17)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24)/t21-/m0/s1
InChIKeyIPCAEAVMAWXVAQ-NRFANRHFSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(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-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide (CID 94018484) is (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is IPCAEAVMAWXVAQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-21(22(24)23-15-16-8-11-19(25-2)12-9-16)26-20-13-10-17-6-4-5-7-18(17)14-20/h4-14,21H,3,15H2,1-2H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 349.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 94018484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).