N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide

C20H32N4O4 — CID 9113409

IUPACN-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OCCN2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H32N4O4/c1-20(2,3)22-19(26)21-18(25)15-24-11-9-23(10-12-24)13-14-28-17-7-5-16(27-4)6-8-17/h5-8H,9-15H2,1-4H3,(H2,21,22,25,26)
InChIKeyBGKSOUCUWVOTBV-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.32
Rot. Bonds7

About N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide (PubChem CID 9113409) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
PubChem CID9113409
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(OCCN2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H32N4O4/c1-20(2,3)22-19(26)21-18(25)15-24-11-9-23(10-12-24)13-14-28-17-7-5-16(27-4)6-8-17/h5-8H,9-15H2,1-4H3,(H2,21,22,25,26)
InChIKeyBGKSOUCUWVOTBV-UHFFFAOYSA-N
XLogP1.32
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propanamide
CID 9494194
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8693242
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127677
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide (CID 9113409) is N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide is COc1ccc(OCCN2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide?
The InChIKey is BGKSOUCUWVOTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-20(2,3)22-19(26)21-18(25)15-24-11-9-23(10-12-24)13-14-28-17-7-5-16(27-4)6-8-17/h5-8H,9-15H2,1-4H3,(H2,21,22,25,26).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9113409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).