N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

C22H28N2O4 — CID 9220223

IUPACN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-5-20(25)16-10-12-17(13-11-16)28-15-22(26)23-14-19(24(2)3)18-8-6-7-9-21(18)27-4/h6-13,19H,5,14-15H2,1-4H3,(H,23,26)/t19-/m1/s1
InChIKeyMONADEUDEQBQHA-LJQANCHMSA-N
MW384.48 g/mol
LogP3.09
Rot. Bonds10

About N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 9220223) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID9220223
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-5-20(25)16-10-12-17(13-11-16)28-15-22(26)23-14-19(24(2)3)18-8-6-7-9-21(18)27-4/h6-13,19H,5,14-15H2,1-4H3,(H,23,26)/t19-/m1/s1
InChIKeyMONADEUDEQBQHA-LJQANCHMSA-N
XLogP3.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43842984
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55787131
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 55888026
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 30521125
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43843181
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 30521032
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55628559
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 43006220
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (CID 9220223) is N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is MONADEUDEQBQHA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-20(25)16-10-12-17(13-11-16)28-15-22(26)23-14-19(24(2)3)18-8-6-7-9-21(18)27-4/h6-13,19H,5,14-15H2,1-4H3,(H,23,26)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 9220223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).