(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide

C20H25NO4 — CID 93486925

IUPAC(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H25NO4/c1-6-17(25-18-9-7-8-13(2)14(18)3)20(22)21-16-11-10-15(23-4)12-19(16)24-5/h7-12,17H,6H2,1-5H3,(H,21,22)/t17-/m0/s1
InChIKeyGIUSNCAMMXOLNU-KRWDZBQOSA-N
MW343.42 g/mol
LogP4.12
Rot. Bonds7

About (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide

(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 93486925) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID93486925
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H25NO4/c1-6-17(25-18-9-7-8-13(2)14(18)3)20(22)21-16-11-10-15(23-4)12-19(16)24-5/h7-12,17H,6H2,1-5H3,(H,21,22)/t17-/m0/s1
InChIKeyGIUSNCAMMXOLNU-KRWDZBQOSA-N
XLogP4.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
methyl 2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-4,5-dimethoxybenzoate
CID 28631989
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034276
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide (CID 93486925) is (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is GIUSNCAMMXOLNU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25NO4/c1-6-17(25-18-9-7-8-13(2)14(18)3)20(22)21-16-11-10-15(23-4)12-19(16)24-5/h7-12,17H,6H2,1-5H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 343.42 g/mol, XLogP of 4.12, 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-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 93486925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).