N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide

C19H27N3O3 — CID 113169422

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1N(CC(=O)N1CCN(C(C)=O)CC1)C(C)=O
InChIInChI=1S/C19H27N3O3/c1-5-17-8-6-7-14(2)19(17)22(16(4)24)13-18(25)21-11-9-20(10-12-21)15(3)23/h6-8H,5,9-13H2,1-4H3
InChIKeyVAVKIXYXGHCYCI-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.60
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 113169422) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID113169422
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1N(CC(=O)N1CCN(C(C)=O)CC1)C(C)=O
InChIInChI=1S/C19H27N3O3/c1-5-17-8-6-7-14(2)19(17)22(16(4)24)13-18(25)21-11-9-20(10-12-21)15(3)23/h6-8H,5,9-13H2,1-4H3
InChIKeyVAVKIXYXGHCYCI-UHFFFAOYSA-N
XLogP1.60
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113168676
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113125572
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113170254
N-(2,6-dimethylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113168682
N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 113169493
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-(2,6-dichlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179960
N-(2-methylphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113167320
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 113169937
N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
CID 70498647

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 113169422) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1N(CC(=O)N1CCN(C(C)=O)CC1)C(C)=O.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is VAVKIXYXGHCYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-17-8-6-7-14(2)19(17)22(16(4)24)13-18(25)21-11-9-20(10-12-21)15(3)23/h6-8H,5,9-13H2,1-4H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 113169422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).