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

C20H25NO2 — CID 99131438

IUPAC(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-5-16-8-10-17(11-9-16)21-20(22)19(6-2)23-18-12-7-14(3)15(4)13-18/h7-13,19H,5-6H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyXPFIWFUEGLTKPH-IBGZPJMESA-N
MW311.43 g/mol
LogP4.66
Rot. Bonds6

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

(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide (PubChem CID 99131438) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
PubChem CID99131438
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-5-16-8-10-17(11-9-16)21-20(22)19(6-2)23-18-12-7-14(3)15(4)13-18/h7-13,19H,5-6H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyXPFIWFUEGLTKPH-IBGZPJMESA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 43907479
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
(2S)-2-(3,4-dimethylphenoxy)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 94019252
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 46771146
butyl 4-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 92676627
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide (CID 99131438) is (2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide is CCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of (2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide?
The InChIKey is XPFIWFUEGLTKPH-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-16-8-10-17(11-9-16)21-20(22)19(6-2)23-18-12-7-14(3)15(4)13-18/h7-13,19H,5-6H2,1-4H3,(H,21,22)/t19-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide?
(2S)-2-(3,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.66, 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-(4-ethylphenyl)butanamide is sourced from PubChem (CID 99131438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).