2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C20H25ClN2O4 — CID 27250281

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H25ClN2O4/c1-23(10-11-27-17-7-5-16(21)6-8-17)14-20(24)22-13-15-4-9-18(25-2)19(12-15)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyFXYPKASLQSXWCE-UHFFFAOYSA-N
MW392.88 g/mol
LogP2.98
Rot. Bonds10

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 27250281) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID27250281
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H25ClN2O4/c1-23(10-11-27-17-7-5-16(21)6-8-17)14-20(24)22-13-15-4-9-18(25-2)19(12-15)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyFXYPKASLQSXWCE-UHFFFAOYSA-N
XLogP2.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4830299
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27245883
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20991454
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544909
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8908217
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46614542
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 46409598
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 27245125

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 27250281) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(C)CCOc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is FXYPKASLQSXWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-23(10-11-27-17-7-5-16(21)6-8-17)14-20(24)22-13-15-4-9-18(25-2)19(12-15)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 392.88 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 27250281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).