(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide

C22H23NO4 — CID 94020229

IUPAC(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C22H23NO4/c1-4-20(27-18-10-9-15-7-5-6-8-16(15)13-18)22(24)23-19-12-11-17(25-2)14-21(19)26-3/h5-14,20H,4H2,1-3H3,(H,23,24)/t20-/m0/s1
InChIKeyQHSLNAHZPKVHRG-FQEVSTJZSA-N
MW365.43 g/mol
LogP4.65
Rot. Bonds7

About (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide

(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 94020229) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
PubChem CID94020229
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C22H23NO4/c1-4-20(27-18-10-9-15-7-5-6-8-16(15)13-18)22(24)23-19-12-11-17(25-2)14-21(19)26-3/h5-14,20H,4H2,1-3H3,(H,23,24)/t20-/m0/s1
InChIKeyQHSLNAHZPKVHRG-FQEVSTJZSA-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

Analyze (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599
N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628
(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010633
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide (CID 94020229) is (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is QHSLNAHZPKVHRG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-20(27-18-10-9-15-7-5-6-8-16(15)13-18)22(24)23-19-12-11-17(25-2)14-21(19)26-3/h5-14,20H,4H2,1-3H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide?
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-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 (2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 94020229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).