2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide

C21H25ClN2O3 — CID 4841837

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-16(25)20(14-17-6-4-3-5-7-17)23-21(26)15-24(2)12-13-27-19-10-8-18(22)9-11-19/h3-11,20H,12-15H2,1-2H3,(H,23,26)
InChIKeyQNLKXPJKQJLFDB-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.97
Rot. Bonds10

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide (PubChem CID 4841837) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
PubChem CID4841837
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3/c1-16(25)20(14-17-6-4-3-5-7-17)23-21(26)15-24(2)12-13-27-19-10-8-18(22)9-11-19/h3-11,20H,12-15H2,1-2H3,(H,23,26)
InChIKeyQNLKXPJKQJLFDB-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18279858
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-phenylmethoxyacetamide
CID 71944034
2-[4-(3-chloropropoxy)phenyl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 14171592
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222696
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222694
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9197153
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054230
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867980
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9039466
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 42980926
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide (CID 4841837) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide is CC(=O)C(Cc1ccccc1)NC(=O)CN(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The InChIKey is QNLKXPJKQJLFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-16(25)20(14-17-6-4-3-5-7-17)23-21(26)15-24(2)12-13-27-19-10-8-18(22)9-11-19/h3-11,20H,12-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4841837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).