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

C13H22N2O — CID 116674986

IUPAC2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CC1)C(=O)C(C)=C1CNC1
InChIInChI=1S/C13H22N2O/c1-3-6-15(9-11-4-5-11)13(16)10(2)12-7-14-8-12/h11,14H,3-9H2,1-2H3
InChIKeyPLEKXXSRVIVJDL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.55
Rot. Bonds5

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

2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide (PubChem CID 116674986) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
PubChem CID116674986
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CC1)C(=O)C(C)=C1CNC1
InChIInChI=1S/C13H22N2O/c1-3-6-15(9-11-4-5-11)13(16)10(2)12-7-14-8-12/h11,14H,3-9H2,1-2H3
InChIKeyPLEKXXSRVIVJDL-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.55
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-ethylpropanamide
CID 116677977
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 116676397
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
2-(azetidin-3-ylidene)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 116677920
methyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 115575376
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
CID 116678391
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
2-ethyl-N-(piperidin-4-ylmethyl)-N-propylbutanamide
CID 79721437
N-(2-aminoethyl)-N'-(cyclopropylmethyl)-N'-propyloxamide
CID 43587286
N-(cyclopropylmethyl)-3-piperidin-4-yl-N-propylpropanamide
CID 62211914
N-(cyclopropylmethyl)-N,3-dipropylpyrrolidine-3-carboxamide
CID 63138996

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide (CID 116674986) is 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide is CCCN(CC1CC1)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide?
The InChIKey is PLEKXXSRVIVJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-6-15(9-11-4-5-11)13(16)10(2)12-7-14-8-12/h11,14H,3-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide?
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide has a molecular weight of 222.33 g/mol, XLogP of 1.55, 5 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-propylpropanamide is sourced from PubChem (CID 116674986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).