N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide

C21H34N4O3 — CID 9130798

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
SMILESCOc1ccc(CN2CCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H34N4O3/c1-21(2,3)22-19(26)15-23(4)20(27)16-25-12-10-24(11-13-25)14-17-6-8-18(28-5)9-7-17/h6-9H,10-16H2,1-5H3,(H,22,26)
InChIKeyCBGOKBWZTJTYIY-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 9130798) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
PubChem CID9130798
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
SMILESCOc1ccc(CN2CCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC2)cc1
InChIInChI=1S/C21H34N4O3/c1-21(2,3)22-19(26)15-23(4)20(27)16-25-12-10-24(11-13-25)14-17-6-8-18(28-5)9-7-17/h6-9H,10-16H2,1-5H3,(H,22,26)
InChIKeyCBGOKBWZTJTYIY-UHFFFAOYSA-N
XLogP1.19
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 9130486
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130785
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348
2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 27133312
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130441
N-tert-butyl-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-yl]acetamide
CID 9213736
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 51327712
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide
CID 55627416
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide (CID 9130798) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide is COc1ccc(CN2CCN(CC(=O)N(C)CC(=O)NC(C)(C)C)CC2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is CBGOKBWZTJTYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-21(2,3)22-19(26)15-23(4)20(27)16-25-12-10-24(11-13-25)14-17-6-8-18(28-5)9-7-17/h6-9H,10-16H2,1-5H3,(H,22,26).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 390.53 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 9130798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).