(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide

C22H30N2O2 — CID 99956563

IUPAC(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C22H30N2O2/c1-6-24(7-2)15-19-11-13-20(14-12-19)23-22(25)18(5)26-21-10-8-9-16(3)17(21)4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)/t18-/m1/s1
InChIKeyOAXYMUWSLYKOBI-GOSISDBHSA-N
MW354.49 g/mol
LogP4.55
Rot. Bonds8

About (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide

(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 99956563) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID99956563
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C22H30N2O2/c1-6-24(7-2)15-19-11-13-20(14-12-19)23-22(25)18(5)26-21-10-8-9-16(3)17(21)4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)/t18-/m1/s1
InChIKeyOAXYMUWSLYKOBI-GOSISDBHSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28957353
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 959330
N-[3-(aminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 16793312
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
(2R)-2-(2,3-dimethylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 94016579
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
hexyl 4-[2-(2,3-dimethylphenoxy)propanoylamino]benzoate
CID 53266719
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)propanamide
CID 30384284
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 26820827

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide (CID 99956563) is (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide is CCN(CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1.
What is the InChIKey of (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is OAXYMUWSLYKOBI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-6-24(7-2)15-19-11-13-20(14-12-19)23-22(25)18(5)26-21-10-8-9-16(3)17(21)4/h8-14,18H,6-7,15H2,1-5H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide?
(2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 354.49 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(diethylaminomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 99956563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).