(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide

C24H27NO2 — CID 28632313

IUPAC(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(C)ccc1C
InChIInChI=1S/C24H27NO2/c1-5-22(27-23-12-8-10-19-9-6-7-11-20(19)23)24(26)25-18(4)21-15-16(2)13-14-17(21)3/h6-15,18,22H,5H2,1-4H3,(H,25,26)/t18-,22+/m1/s1
InChIKeyFENZDMNUOUKVRK-GCJKJVERSA-N
MW361.49 g/mol
LogP5.49
Rot. Bonds6

About (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide

(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 28632313) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
PubChem CID28632313
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(C)ccc1C
InChIInChI=1S/C24H27NO2/c1-5-22(27-23-12-8-10-19-9-6-7-11-20(19)23)24(26)25-18(4)21-15-16(2)13-14-17(21)3/h6-15,18,22H,5H2,1-4H3,(H,25,26)/t18-,22+/m1/s1
InChIKeyFENZDMNUOUKVRK-GCJKJVERSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94020068
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide (CID 28632313) is (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide is CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(C)ccc1C.
What is the InChIKey of (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is FENZDMNUOUKVRK-GCJKJVERSA-N. The full InChI is InChI=1S/C24H27NO2/c1-5-22(27-23-12-8-10-19-9-6-7-11-20(19)23)24(26)25-18(4)21-15-16(2)13-14-17(21)3/h6-15,18,22H,5H2,1-4H3,(H,25,26)/t18-,22+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide?
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 361.49 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 28632313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).