3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide

C11H21N3O2 — CID 64612461

IUPAC3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)CC1CNC1
InChIInChI=1S/C11H21N3O2/c1-2-4-13-10(15)3-5-14-11(16)6-9-7-12-8-9/h9,12H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyLFOWYUYSVKOJKI-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.37
Rot. Bonds7

About 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide

3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide (PubChem CID 64612461) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
PubChem CID64612461
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)CC1CNC1
InChIInChI=1S/C11H21N3O2/c1-2-4-13-10(15)3-5-14-11(16)6-9-7-12-8-9/h9,12H,2-8H2,1H3,(H,13,15)(H,14,16)
InChIKeyLFOWYUYSVKOJKI-UHFFFAOYSA-N
XLogP-0.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-(azetidin-3-yl)-N-hydroxyacetamide
CID 64611037
2-(azetidin-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739196
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080
4-[[2-(azetidin-3-yl)acetyl]amino]-2-methylbutanoic acid
CID 80540037
2-(azetidin-3-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 64609560
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-propylpropanamide
CID 87037238
3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463
4-methyl-2-[[3-oxo-3-(propylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114390885
ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate
CID 64618961

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide (CID 64612461) is 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)CC1CNC1.
What is the InChIKey of 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide?
The InChIKey is LFOWYUYSVKOJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-4-13-10(15)3-5-14-11(16)6-9-7-12-8-9/h9,12H,2-8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide?
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide has a molecular weight of 227.31 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 64612461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).