2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide

C22H28N2O5 — CID 42906840

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCC(c1ccccc1OC)N(C)C
InChIInChI=1S/C22H28N2O5/c1-15(25)16-10-11-20(21(12-16)28-5)29-14-22(26)23-13-18(24(2)3)17-8-6-7-9-19(17)27-4/h6-12,18H,13-14H2,1-5H3,(H,23,26)
InChIKeyDJEJNZQJWWULSZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.70
Rot. Bonds10

About 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 42906840) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID42906840
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCC(c1ccccc1OC)N(C)C
InChIInChI=1S/C22H28N2O5/c1-15(25)16-10-11-20(21(12-16)28-5)29-14-22(26)23-13-18(24(2)3)17-8-6-7-9-19(17)27-4/h6-12,18H,13-14H2,1-5H3,(H,23,26)
InChIKeyDJEJNZQJWWULSZ-UHFFFAOYSA-N
XLogP2.70
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 43006220
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
CID 55337679
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
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-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 9220223
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43843181
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 30521125
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43842984
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55787131

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide (CID 42906840) is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCC(c1ccccc1OC)N(C)C.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is DJEJNZQJWWULSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-15(25)16-10-11-20(21(12-16)28-5)29-14-22(26)23-13-18(24(2)3)17-8-6-7-9-19(17)27-4/h6-12,18H,13-14H2,1-5H3,(H,23,26).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 42906840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).