(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide

C22H29NO2 — CID 99955131

IUPAC(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc(C)c1C
InChIInChI=1S/C22H29NO2/c1-6-17-12-10-13-18(7-2)21(17)23-22(24)19(8-3)25-20-14-9-11-15(4)16(20)5/h9-14,19H,6-8H2,1-5H3,(H,23,24)/t19-/m1/s1
InChIKeyLIODGEIFPWSFHC-LJQANCHMSA-N
MW339.48 g/mol
LogP5.22
Rot. Bonds7

About (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide

(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 99955131) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID99955131
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc(C)c1C
InChIInChI=1S/C22H29NO2/c1-6-17-12-10-13-18(7-2)21(17)23-22(24)19(8-3)25-20-14-9-11-15(4)16(20)5/h9-14,19H,6-8H2,1-5H3,(H,23,24)/t19-/m1/s1
InChIKeyLIODGEIFPWSFHC-LJQANCHMSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94015885
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 28958403

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide (CID 99955131) is (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide is CCc1cccc(CC)c1NC(=O)[C@@H](CC)Oc1cccc(C)c1C.
What is the InChIKey of (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is LIODGEIFPWSFHC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-17-12-10-13-18(7-2)21(17)23-22(24)19(8-3)25-20-14-9-11-15(4)16(20)5/h9-14,19H,6-8H2,1-5H3,(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide?
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 339.48 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 99955131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).