2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

C24H31N3O3 — CID 60503239

IUPAC2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCCOc1ccccc1C(=O)N1CCN(CC(=O)N(C)Cc2ccccc2C)CC1
InChIInChI=1S/C24H31N3O3/c1-4-30-22-12-8-7-11-21(22)24(29)27-15-13-26(14-16-27)18-23(28)25(3)17-20-10-6-5-9-19(20)2/h5-12H,4,13-18H2,1-3H3
InChIKeyYGDJBZWNRYLPQC-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.81
Rot. Bonds7

About 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide

2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 60503239) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID60503239
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCCOc1ccccc1C(=O)N1CCN(CC(=O)N(C)Cc2ccccc2C)CC1
InChIInChI=1S/C24H31N3O3/c1-4-30-22-12-8-7-11-21(22)24(29)27-15-13-26(14-16-27)18-23(28)25(3)17-20-10-6-5-9-19(20)2/h5-12H,4,13-18H2,1-3H3
InChIKeyYGDJBZWNRYLPQC-UHFFFAOYSA-N
XLogP2.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide (CID 60503239) is 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is CCOc1ccccc1C(=O)N1CCN(CC(=O)N(C)Cc2ccccc2C)CC1.
What is the InChIKey of 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is YGDJBZWNRYLPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-30-22-12-8-7-11-21(22)24(29)27-15-13-26(14-16-27)18-23(28)25(3)17-20-10-6-5-9-19(20)2/h5-12H,4,13-18H2,1-3H3.
What are the key properties of 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide?
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 60503239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).