2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

C12H24N4O2 — CID 65249916

IUPAC2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN1CC(N)C1
InChIInChI=1S/C12H24N4O2/c1-4-16(7-11(17)14-9(2)3)12(18)8-15-5-10(13)6-15/h9-10H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyQEJICIWMJISTDY-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.00
Rot. Bonds6

About 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide

2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 65249916) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
PubChem CID65249916
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CN1CC(N)C1
InChIInChI=1S/C12H24N4O2/c1-4-16(7-11(17)14-9(2)3)12(18)8-15-5-10(13)6-15/h9-10H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyQEJICIWMJISTDY-UHFFFAOYSA-N
XLogP-1.00
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperazin-1-ylacetamide
CID 43348706
N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 63264164
N-ethyl-2-(3-formylpiperidin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 62660462
2-(azetidin-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 64610759
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 47106733
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 64824749
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide (CID 65249916) is 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is CCN(CC(=O)NC(C)C)C(=O)CN1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
The InChIKey is QEJICIWMJISTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-16(7-11(17)14-9(2)3)12(18)8-15-5-10(13)6-15/h9-10H,4-8,13H2,1-3H3,(H,14,17).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide?
2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 65249916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).