(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide

C20H25NO2 — CID 94016048

IUPAC(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C
InChIInChI=1S/C20H25NO2/c1-5-19(23-18-11-10-14(2)16(4)12-18)20(22)21-13-17-9-7-6-8-15(17)3/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyKBUBSSXASWZVOD-IBGZPJMESA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds6

About (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide

(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 94016048) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
PubChem CID94016048
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C
InChIInChI=1S/C20H25NO2/c1-5-19(23-18-11-10-14(2)16(4)12-18)20(22)21-13-17-9-7-6-8-15(17)3/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyKBUBSSXASWZVOD-IBGZPJMESA-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-(3,4-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 94012140
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 14211244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide (CID 94016048) is (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide is CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C.
What is the InChIKey of (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is KBUBSSXASWZVOD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-19(23-18-11-10-14(2)16(4)12-18)20(22)21-13-17-9-7-6-8-15(17)3/h6-12,19H,5,13H2,1-4H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide?
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-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-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 94016048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).