(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide

C22H23NO4 — CID 92680294

IUPAC(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H23NO4/c1-4-18(27-19-11-7-9-15-8-5-6-10-17(15)19)22(24)23-16-12-13-20(25-2)21(14-16)26-3/h5-14,18H,4H2,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyHWIWKFYLCLYSIS-GOSISDBHSA-N
MW365.43 g/mol
LogP4.65
Rot. Bonds7

About (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide

(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide (PubChem CID 92680294) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
PubChem CID92680294
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H23NO4/c1-4-18(27-19-11-7-9-15-8-5-6-10-17(15)19)22(24)23-16-12-13-20(25-2)21(14-16)26-3/h5-14,18H,4H2,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyHWIWKFYLCLYSIS-GOSISDBHSA-N
XLogP4.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
(2R)-N-(3-acetamidophenyl)-2-naphthalen-1-yloxybutanamide
CID 92671782
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
N-(3-fluorophenyl)-2-naphthalen-1-yloxybutanamide
CID 46770418
methyl 2-chloro-5-(2-naphthalen-1-yloxybutanoylamino)benzoate
CID 43915723
(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
CID 30396463
(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662
(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
CID 92683938
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide (CID 92680294) is (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide?
The InChIKey is HWIWKFYLCLYSIS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-18(27-19-11-7-9-15-8-5-6-10-17(15)19)22(24)23-16-12-13-20(25-2)21(14-16)26-3/h5-14,18H,4H2,1-3H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide?
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide has a molecular weight of 365.43 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 92680294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).