2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

C21H27ClN2O4 — CID 46614542

IUPAC2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CN(C)CCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H27ClN2O4/c1-15(19-13-18(26-3)9-10-20(19)27-4)23-21(25)14-24(2)11-12-28-17-7-5-16(22)6-8-17/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25)
InChIKeyKHVBQNBVIPCFHL-UHFFFAOYSA-N
MW406.91 g/mol
LogP3.55
Rot. Bonds10

About 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 46614542) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID46614542
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC Name2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CN(C)CCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H27ClN2O4/c1-15(19-13-18(26-3)9-10-20(19)27-4)23-21(25)14-24(2)11-12-28-17-7-5-16(22)6-8-17/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25)
InChIKeyKHVBQNBVIPCFHL-UHFFFAOYSA-N
XLogP3.55
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8816429
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100758756
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27250281
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24566477
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 47007435
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229558
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4830299
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 51226646

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 46614542) is 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c(C(C)NC(=O)CN(C)CCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is KHVBQNBVIPCFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-15(19-13-18(26-3)9-10-20(19)27-4)23-21(25)14-24(2)11-12-28-17-7-5-16(22)6-8-17/h5-10,13,15H,11-12,14H2,1-4H3,(H,23,25).
What are the key properties of 2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 406.91 g/mol, XLogP of 3.55, 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-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46614542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).