2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide

C23H29ClN2O4 — CID 55337679

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)C(CNC(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1Cl
InChIInChI=1S/C23H29ClN2O4/c1-5-26(6-2)20(18-9-7-8-10-19(18)24)14-25-23(28)15-30-21-12-11-17(16(3)27)13-22(21)29-4/h7-13,20H,5-6,14-15H2,1-4H3,(H,25,28)
InChIKeyHTKFWYLFKIIMBZ-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.13
Rot. Bonds11

About 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide (PubChem CID 55337679) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
PubChem CID55337679
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)C(CNC(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1Cl
InChIInChI=1S/C23H29ClN2O4/c1-5-26(6-2)20(18-9-7-8-10-19(18)24)14-25-23(28)15-30-21-12-11-17(16(3)27)13-22(21)29-4/h7-13,20H,5-6,14-15H2,1-4H3,(H,25,28)
InChIKeyHTKFWYLFKIIMBZ-UHFFFAOYSA-N
XLogP4.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 34948899
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526164
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 43006220
2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide
CID 42890728
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 112503957
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide (CID 55337679) is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide is CCN(CC)C(CNC(=O)COc1ccc(C(C)=O)cc1OC)c1ccccc1Cl.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide?
The InChIKey is HTKFWYLFKIIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c1-5-26(6-2)20(18-9-7-8-10-19(18)24)14-25-23(28)15-30-21-12-11-17(16(3)27)13-22(21)29-4/h7-13,20H,5-6,14-15H2,1-4H3,(H,25,28).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide has a molecular weight of 432.95 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 55337679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).