2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide

C20H41N3O2 — CID 155031546

IUPAC2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide
SMILESCOCC(C)C(C)(C)N1CCN(CC(=O)NC(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H41N3O2/c1-16(15-25-9)19(5,6)23-12-10-22(11-13-23)14-17(24)21-20(7,8)18(2,3)4/h16H,10-15H2,1-9H3,(H,21,24)
InChIKeyWAVFPYXRTOHTPS-UHFFFAOYSA-N
MW355.57 g/mol
LogP2.61
Rot. Bonds7

About 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide

2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide (PubChem CID 155031546) has the molecular formula C20H41N3O2 and a molecular weight of 355.57 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide
PubChem CID155031546
Molecular FormulaC20H41N3O2
Molecular Weight355.57 g/mol
Exact Mass355.32
IUPAC Name2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide
SMILESCOCC(C)C(C)(C)N1CCN(CC(=O)NC(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H41N3O2/c1-16(15-25-9)19(5,6)23-12-10-22(11-13-23)14-17(24)21-20(7,8)18(2,3)4/h16H,10-15H2,1-9H3,(H,21,24)
InChIKeyWAVFPYXRTOHTPS-UHFFFAOYSA-N
XLogP2.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide
CID 135173691
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63336209
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
methyl (3R)-3-[4-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]butanoate
CID 95786399
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 63341913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide (CID 155031546) is 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide is COCC(C)C(C)(C)N1CCN(CC(=O)NC(C)(C)C(C)(C)C)CC1.
What is the InChIKey of 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide?
The InChIKey is WAVFPYXRTOHTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O2/c1-16(15-25-9)19(5,6)23-12-10-22(11-13-23)14-17(24)21-20(7,8)18(2,3)4/h16H,10-15H2,1-9H3,(H,21,24).
What are the key properties of 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide?
2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide has a molecular weight of 355.57 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2,3-dimethylbutan-2-yl)piperazin-1-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide is sourced from PubChem (CID 155031546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).