(2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide

C24H35NO2 — CID 7309794

IUPAC(2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35NO2/c1-4-22(27-21-6-5-16(2)17(3)9-21)23(26)25-8-7-24-13-18-10-19(14-24)12-20(11-18)15-24/h5-6,9,18-20,22H,4,7-8,10-15H2,1-3H3,(H,25,26)/t18?,19?,20?,22-,24?/m1/s1
InChIKeyNWQARWPTYZKZFX-GPUVRGFBSA-N
MW369.55 g/mol
LogP5.18
Rot. Bonds7

About (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide

(2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 7309794) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
PubChem CID7309794
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name(2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H35NO2/c1-4-22(27-21-6-5-16(2)17(3)9-21)23(26)25-8-7-24-13-18-10-19(14-24)12-20(11-18)15-24/h5-6,9,18-20,22H,4,7-8,10-15H2,1-3H3,(H,25,26)/t18?,19?,20?,22-,24?/m1/s1
InChIKeyNWQARWPTYZKZFX-GPUVRGFBSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
(2R)-N-(1-adamantylmethyl)-2-phenoxybutanamide
CID 8923558
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569042
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide (CID 7309794) is (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is NWQARWPTYZKZFX-GPUVRGFBSA-N. The full InChI is InChI=1S/C24H35NO2/c1-4-22(27-21-6-5-16(2)17(3)9-21)23(26)25-8-7-24-13-18-10-19(14-24)12-20(11-18)15-24/h5-6,9,18-20,22H,4,7-8,10-15H2,1-3H3,(H,25,26)/t18?,19?,20?,22-,24?/m1/s1.
What are the key properties of (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide?
(2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 369.55 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1-adamantyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 7309794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).