2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide

C12H20N2O — CID 116677977

IUPAC2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide
SMILESCCN(CC1CC1)C(=O)C(C)=C1CNC1
InChIInChI=1S/C12H20N2O/c1-3-14(8-10-4-5-10)12(15)9(2)11-6-13-7-11/h10,13H,3-8H2,1-2H3
InChIKeyJAUPNTIROLBLRY-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide

2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide (PubChem CID 116677977) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide
PubChem CID116677977
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide
SMILESCCN(CC1CC1)C(=O)C(C)=C1CNC1
InChIInChI=1S/C12H20N2O/c1-3-14(8-10-4-5-10)12(15)9(2)11-6-13-7-11/h10,13H,3-8H2,1-2H3
InChIKeyJAUPNTIROLBLRY-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 116674986
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
CID 116678391
N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide
CID 23534016
2-(azetidin-3-ylidene)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 116677920
2-(azetidin-3-ylidene)-N-(2-cyanopropyl)-N-ethylpropanamide
CID 116676646
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 116676397
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79721124
2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide
CID 116678457
ethyl 2-[2-(azetidin-3-ylidene)propanoyl-(2-methylpropyl)amino]acetate
CID 116676453
N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79721059

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide (CID 116677977) is 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide is CCN(CC1CC1)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide?
The InChIKey is JAUPNTIROLBLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(8-10-4-5-10)12(15)9(2)11-6-13-7-11/h10,13H,3-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide?
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide has a molecular weight of 208.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide is sourced from PubChem (CID 116677977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).