(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide

C17H27NO2 — CID 100569042

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)C(C)C
InChIInChI=1S/C17H27NO2/c1-7-16(17(19)18-14(6)11(2)3)20-15-9-8-12(4)13(5)10-15/h8-11,14,16H,7H2,1-6H3,(H,18,19)/t14-,16-/m1/s1
InChIKeyQIYPAQSTOFVEOV-GDBMZVCRSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds6

About (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide

(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide (PubChem CID 100569042) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
PubChem CID100569042
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)C(C)C
InChIInChI=1S/C17H27NO2/c1-7-16(17(19)18-14(6)11(2)3)20-15-9-8-12(4)13(5)10-15/h8-11,14,16H,7H2,1-6H3,(H,18,19)/t14-,16-/m1/s1
InChIKeyQIYPAQSTOFVEOV-GDBMZVCRSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000
(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-ethylbutanamide
CID 43916377
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
2-(3,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53284470
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250034
(2R)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 92675573
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43906025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide (CID 100569042) is (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)C(C)C.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide?
The InChIKey is QIYPAQSTOFVEOV-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-16(17(19)18-14(6)11(2)3)20-15-9-8-12(4)13(5)10-15/h8-11,14,16H,7H2,1-6H3,(H,18,19)/t14-,16-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide has a molecular weight of 277.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide is sourced from PubChem (CID 100569042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).