2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide

C24H29Cl2N3O4 — CID 11329397

IUPAC2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H29Cl2N3O4/c1-27(2)23(30)16-28-9-11-29(12-10-28)24(31)18-5-7-21(32-3)22(14-18)33-13-8-17-4-6-19(25)15-20(17)26/h4-7,14-15H,8-13,16H2,1-3H3
InChIKeyUAMXEKYHGKDQPA-UHFFFAOYSA-N
MW494.42 g/mol
LogP3.47
Rot. Bonds8

About 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 11329397) has the molecular formula C24H29Cl2N3O4 and a molecular weight of 494.42 g/mol. Its IUPAC name is 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID11329397
Molecular FormulaC24H29Cl2N3O4
Molecular Weight494.42 g/mol
Exact Mass493.15
IUPAC Name2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H29Cl2N3O4/c1-27(2)23(30)16-28-9-11-29(12-10-28)24(31)18-5-7-21(32-3)22(14-18)33-13-8-17-4-6-19(25)15-20(17)26/h4-7,14-15H,8-13,16H2,1-3H3
InChIKeyUAMXEKYHGKDQPA-UHFFFAOYSA-N
XLogP3.47
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 11329397) is 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide is COc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is UAMXEKYHGKDQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O4/c1-27(2)23(30)16-28-9-11-29(12-10-28)24(31)18-5-7-21(32-3)22(14-18)33-13-8-17-4-6-19(25)15-20(17)26/h4-7,14-15H,8-13,16H2,1-3H3.
What are the key properties of 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 494.42 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 11329397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).