(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide

C22H23NO2 — CID 93486668

IUPAC(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H23NO2/c1-4-21(22(24)23-20-11-7-8-15(2)16(20)3)25-19-13-12-17-9-5-6-10-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m0/s1
InChIKeyMTIBDTYIIUSPAY-NRFANRHFSA-N
MW333.43 g/mol
LogP5.25
Rot. Bonds5

About (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide

(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 93486668) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
PubChem CID93486668
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H23NO2/c1-4-21(22(24)23-20-11-7-8-15(2)16(20)3)25-19-13-12-17-9-5-6-10-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m0/s1
InChIKeyMTIBDTYIIUSPAY-NRFANRHFSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
2-naphthalen-2-yloxy-N-(2-phenylsulfanylphenyl)butanamide
CID 43886290
ethyl 3-methyl-4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 46771780
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxybutanamide
CID 28636606

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide (CID 93486668) is (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is MTIBDTYIIUSPAY-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO2/c1-4-21(22(24)23-20-11-7-8-15(2)16(20)3)25-19-13-12-17-9-5-6-10-18(17)14-19/h5-14,21H,4H2,1-3H3,(H,23,24)/t21-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide?
(2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide has a molecular weight of 333.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylphenyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 93486668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).