(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide

C24H27NO4 — CID 99953693

IUPAC(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27NO4/c1-4-21(29-20-11-10-18-7-5-6-8-19(18)16-20)24(26)25-14-13-17-9-12-22(27-2)23(15-17)28-3/h5-12,15-16,21H,4,13-14H2,1-3H3,(H,25,26)/t21-/m1/s1
InChIKeyAOQUZHUXMOPIBC-OAQYLSRUSA-N
MW393.48 g/mol
LogP4.37
Rot. Bonds9

About (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide

(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 99953693) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
PubChem CID99953693
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27NO4/c1-4-21(29-20-11-10-18-7-5-6-8-19(18)16-20)24(26)25-14-13-17-9-12-22(27-2)23(15-17)28-3/h5-12,15-16,21H,4,13-14H2,1-3H3,(H,25,26)/t21-/m1/s1
InChIKeyAOQUZHUXMOPIBC-OAQYLSRUSA-N
XLogP4.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 30384438
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,5-dimethylphenoxy)butanamide
CID 43916329
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 92680845
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide (CID 99953693) is (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide is CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is AOQUZHUXMOPIBC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27NO4/c1-4-21(29-20-11-10-18-7-5-6-8-19(18)16-20)24(26)25-14-13-17-9-12-22(27-2)23(15-17)28-3/h5-12,15-16,21H,4,13-14H2,1-3H3,(H,25,26)/t21-/m1/s1.
What are the key properties of (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 393.48 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 99953693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).