(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide

C23H32N2O2 — CID 100623630

IUPAC(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C23H32N2O2/c1-6-21(27-22-11-9-10-17(4)18(22)5)23(26)24-16-19-12-14-20(15-13-19)25(7-2)8-3/h9-15,21H,6-8,16H2,1-5H3,(H,24,26)/t21-/m1/s1
InChIKeyJRWSUVIGSSLQBY-OAQYLSRUSA-N
MW368.52 g/mol
LogP4.62
Rot. Bonds9

About (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide

(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 100623630) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide
PubChem CID100623630
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C23H32N2O2/c1-6-21(27-22-11-9-10-17(4)18(22)5)23(26)24-16-19-12-14-20(15-13-19)25(7-2)8-3/h9-15,21H,6-8,16H2,1-5H3,(H,24,26)/t21-/m1/s1
InChIKeyJRWSUVIGSSLQBY-OAQYLSRUSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 28574055
(2R)-2-(2,3-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015566
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28564509
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 28635390
2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 43886298
(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 92647459
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 133240114
(2S)-2-(2,3-dimethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
CID 99972645
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide (CID 100623630) is (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N(CC)CC)cc1.
What is the InChIKey of (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is JRWSUVIGSSLQBY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-6-21(27-22-11-9-10-17(4)18(22)5)23(26)24-16-19-12-14-20(15-13-19)25(7-2)8-3/h9-15,21H,6-8,16H2,1-5H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide?
(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 368.52 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 100623630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).