2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide

C26H27ClN2O4 — CID 133238520

IUPAC2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
SMILESCCNC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C26H27ClN2O4/c1-3-28-26(31)25(20-9-5-4-6-10-20)29(17-19-13-15-21(32-2)16-14-19)24(30)18-33-23-12-8-7-11-22(23)27/h4-16,25H,3,17-18H2,1-2H3,(H,28,31)
InChIKeyXQJPXEJRQSRNOL-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.63
Rot. Bonds10

About 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide

2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide (PubChem CID 133238520) has the molecular formula C26H27ClN2O4 and a molecular weight of 466.97 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
PubChem CID133238520
Molecular FormulaC26H27ClN2O4
Molecular Weight466.97 g/mol
Exact Mass466.17
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
SMILESCCNC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C26H27ClN2O4/c1-3-28-26(31)25(20-9-5-4-6-10-20)29(17-19-13-15-21(32-2)16-14-19)24(30)18-33-23-12-8-7-11-22(23)27/h4-16,25H,3,17-18H2,1-2H3,(H,28,31)
InChIKeyXQJPXEJRQSRNOL-UHFFFAOYSA-N
XLogP4.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide
CID 133238532
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133238530
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133238462
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
CID 133236921
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 133236903
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236311
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 133237445
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133236895
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132658928
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]-2-phenylacetamide
CID 133236897
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide (CID 133238520) is 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide is CCNC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide?
The InChIKey is XQJPXEJRQSRNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4/c1-3-28-26(31)25(20-9-5-4-6-10-20)29(17-19-13-15-21(32-2)16-14-19)24(30)18-33-23-12-8-7-11-22(23)27/h4-16,25H,3,17-18H2,1-2H3,(H,28,31).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide?
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide has a molecular weight of 466.97 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide is sourced from PubChem (CID 133238520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).