2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide

C15H29N3O — CID 102993089

IUPAC2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide
SMILESCCN(CC)CCCN(CC)C(=O)C(C)=C1CNC1
InChIInChI=1S/C15H29N3O/c1-5-17(6-2)9-8-10-18(7-3)15(19)13(4)14-11-16-12-14/h16H,5-12H2,1-4H3
InChIKeyXNIWKBFMJJBQSU-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.49
Rot. Bonds8

About 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide

2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide (PubChem CID 102993089) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide
PubChem CID102993089
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide
SMILESCCN(CC)CCCN(CC)C(=O)C(C)=C1CNC1
InChIInChI=1S/C15H29N3O/c1-5-17(6-2)9-8-10-18(7-3)15(19)13(4)14-11-16-12-14/h16H,5-12H2,1-4H3
InChIKeyXNIWKBFMJJBQSU-UHFFFAOYSA-N
XLogP1.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-butyl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550851
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 113550858
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propanamide
CID 116674607
2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116675906
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676447
2-(azetidin-3-ylidene)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 116676471
2-(azetidin-3-ylidene)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 116676498
2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 116677478
2-(azetidin-3-ylidene)-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 116678235
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)-N-methylpropanamide
CID 116679092
N-(azetidin-3-ylmethyl)-2-fluoro-3-methylbut-2-enamide
CID 130679091
N-(3-aminopropyl)-2,3-dimethylbut-2-enamide
CID 17937530

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide (CID 102993089) is 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide is CCN(CC)CCCN(CC)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide?
The InChIKey is XNIWKBFMJJBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-17(6-2)9-8-10-18(7-3)15(19)13(4)14-11-16-12-14/h16H,5-12H2,1-4H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide?
2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide has a molecular weight of 267.42 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide is sourced from PubChem (CID 102993089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).