propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C20H29N3O4 — CID 54820041

IUPACpropyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C20H29N3O4/c1-4-11-27-18(25)12-16-20(26)21-9-10-23(16)13-17(24)22-19-14(3)7-6-8-15(19)5-2/h6-8,16H,4-5,9-13H2,1-3H3,(H,21,26)(H,22,24)
InChIKeyXAZQDRAYDAOANZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.64
Rot. Bonds8

About propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54820041) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54820041
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Namepropyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C20H29N3O4/c1-4-11-27-18(25)12-16-20(26)21-9-10-23(16)13-17(24)22-19-14(3)7-6-8-15(19)5-2/h6-8,16H,4-5,9-13H2,1-3H3,(H,21,26)(H,22,24)
InChIKeyXAZQDRAYDAOANZ-UHFFFAOYSA-N
XLogP1.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

2-methylpropyl 2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822534
propyl 2-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819883
propyl 2-[1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819589
propyl 2-[1-[2-(2-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819626
propyl 2-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819553
butyl 2-[1-[2-(3-chloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822781
butyl 2-[1-[2-(2-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822936
butyl 2-[1-[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823094
propyl 2-[3-oxo-1-[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]piperazin-2-yl]acetate
CID 54819765
butyl 2-[1-[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823089
methyl 2-[1-[2-(3-iodoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 46820582
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437

Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 54820041) is propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is CCCOC(=O)CC1C(=O)NCCN1CC(=O)Nc1c(C)cccc1CC.
What is the InChIKey of propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is XAZQDRAYDAOANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-11-27-18(25)12-16-20(26)21-9-10-23(16)13-17(24)22-19-14(3)7-6-8-15(19)5-2/h6-8,16H,4-5,9-13H2,1-3H3,(H,21,26)(H,22,24).
What are the key properties of propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 375.47 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54820041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).