(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide

C21H21NO2 — CID 38017332

IUPAC(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H21NO2/c1-3-19(21(23)22(2)17-12-5-4-6-13-17)24-20-15-9-11-16-10-7-8-14-18(16)20/h4-15,19H,3H2,1-2H3/t19-/m1/s1
InChIKeyXLHZMXAZTVZWNQ-LJQANCHMSA-N
MW319.40 g/mol
LogP4.66
Rot. Bonds5

About (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide

(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide (PubChem CID 38017332) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide
PubChem CID38017332
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H21NO2/c1-3-19(21(23)22(2)17-12-5-4-6-13-17)24-20-15-9-11-16-10-7-8-14-18(16)20/h4-15,19H,3H2,1-2H3/t19-/m1/s1
InChIKeyXLHZMXAZTVZWNQ-LJQANCHMSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide
CID 99952134
2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide
CID 133144199
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-yloxybutanamide
CID 132763303
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94019853
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
2-naphthalen-1-yloxy-N-(2-phenylpropyl)butanamide
CID 133240045

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide?
The IUPAC name of (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide (CID 38017332) is (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide.
What is the SMILES notation for (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide?
The canonical SMILES for (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide?
The InChIKey is XLHZMXAZTVZWNQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21NO2/c1-3-19(21(23)22(2)17-12-5-4-6-13-17)24-20-15-9-11-16-10-7-8-14-18(16)20/h4-15,19H,3H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide?
(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide has a molecular weight of 319.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide is sourced from PubChem (CID 38017332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).