2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide

C13H25N3O2 — CID 116678902

IUPAC2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
SMILESCC(C(=O)NCCC(=O)NC(C)(C)C)C1CNC1
InChIInChI=1S/C13H25N3O2/c1-9(10-7-14-8-10)12(18)15-6-5-11(17)16-13(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyNUDPFBSVGAEBGT-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.26
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide

2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide (PubChem CID 116678902) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
PubChem CID116678902
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
SMILESCC(C(=O)NCCC(=O)NC(C)(C)C)C1CNC1
InChIInChI=1S/C13H25N3O2/c1-9(10-7-14-8-10)12(18)15-6-5-11(17)16-13(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyNUDPFBSVGAEBGT-UHFFFAOYSA-N
XLogP0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 116678382
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630
2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107852972
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
CID 116676839
2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 116678297
2-(azetidin-3-yl)-N-octylpropanamide
CID 116678669
2-(azetidin-3-yl)-N-(5-methylhexyl)propanamide
CID 116678618
2-(azetidin-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106428265
2-(azetidin-3-yl)-N-(cyclopropylmethyl)propanamide
CID 116674271
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide
CID 113409920
2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
CID 116678814
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide (CID 116678902) is 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide is CC(C(=O)NCCC(=O)NC(C)(C)C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide?
The InChIKey is NUDPFBSVGAEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(10-7-14-8-10)12(18)15-6-5-11(17)16-13(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide?
2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 116678902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).