2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide

C16H32N4O2 — CID 86908543

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H32N4O2/c1-6-20-9-7-13(8-10-20)17-14(21)11-19(5)12-15(22)18-16(2,3)4/h13H,6-12H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyVBCZTAXSJYGGJD-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.43
Rot. Bonds6

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 86908543) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID86908543
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H32N4O2/c1-6-20-9-7-13(8-10-20)17-14(21)11-19(5)12-15(22)18-16(2,3)4/h13H,6-12H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyVBCZTAXSJYGGJD-UHFFFAOYSA-N
XLogP0.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide (CID 86908543) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)CC1.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is VBCZTAXSJYGGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-6-20-9-7-13(8-10-20)17-14(21)11-19(5)12-15(22)18-16(2,3)4/h13H,6-12H2,1-5H3,(H,17,21)(H,18,22).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 312.46 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 86908543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).