N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide

C21H26ClN3O4 — CID 8816429

IUPACN-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H26ClN3O4/c1-14(18-11-17(28-3)9-10-19(18)29-4)23-20(26)12-25(2)13-21(27)24-16-7-5-15(22)6-8-16/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)/t14-/m1/s1
InChIKeyKKQDELHZJUJGSC-CQSZACIVSA-N
MW419.91 g/mol
LogP3.10
Rot. Bonds9

About N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide

N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8816429) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8816429
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC NameN-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H26ClN3O4/c1-14(18-11-17(28-3)9-10-19(18)29-4)23-20(26)12-25(2)13-21(27)24-16-7-5-15(22)6-8-16/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)/t14-/m1/s1
InChIKeyKKQDELHZJUJGSC-CQSZACIVSA-N
XLogP3.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46614542
2-[[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8554178
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100758756
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8786234
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 51226646
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133163169
2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133224959
2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 40942275

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide (CID 8816429) is N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide is COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is KKQDELHZJUJGSC-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-14(18-11-17(28-3)9-10-19(18)29-4)23-20(26)12-25(2)13-21(27)24-16-7-5-15(22)6-8-16/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)/t14-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide?
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 419.91 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8816429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).