(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide

C20H25NO2 — CID 92682902

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C20H25NO2/c1-5-18(23-19-12-15(3)9-10-16(19)4)20(22)21-13-17-8-6-7-14(2)11-17/h6-12,18H,5,13H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyZUPZKXYRNFBARC-SFHVURJKSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds6

About (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide

(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide (PubChem CID 92682902) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
PubChem CID92682902
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C20H25NO2/c1-5-18(23-19-12-15(3)9-10-16(19)4)20(22)21-13-17-8-6-7-14(2)11-17/h6-12,18H,5,13H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyZUPZKXYRNFBARC-SFHVURJKSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 43904877
2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 53284498
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide
CID 71229917
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide (CID 92682902) is (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide is CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C)c1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The InChIKey is ZUPZKXYRNFBARC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-18(23-19-12-15(3)9-10-16(19)4)20(22)21-13-17-8-6-7-14(2)11-17/h6-12,18H,5,13H2,1-4H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 92682902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).