2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide

C13H24N2O — CID 116678391

IUPAC2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(CC)C(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O/c1-5-10(3)9-15(6-2)13(16)11(4)12-7-14-8-12/h10,14H,5-9H2,1-4H3
InChIKeyOOVRKDWZVUICDM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.80
Rot. Bonds5

About 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide

2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide (PubChem CID 116678391) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
PubChem CID116678391
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(CC)C(=O)C(C)=C1CNC1
InChIInChI=1S/C13H24N2O/c1-5-10(3)9-15(6-2)13(16)11(4)12-7-14-8-12/h10,14H,5-9H2,1-4H3
InChIKeyOOVRKDWZVUICDM-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.80
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-(2-cyanopropyl)-N-ethylpropanamide
CID 116676646
2-(azetidin-3-ylidene)-N,N-dibutylpropanamide
CID 116674717
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 116677977
2-(azetidin-3-ylidene)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 116676397
ethyl 2-[2-(azetidin-3-ylidene)propanoyl-(2-methylpropyl)amino]acetate
CID 116676453
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 116674986
2-[2-(azetidin-3-ylidene)propanoyl-propan-2-ylamino]acetic acid
CID 116676994
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
N-ethyl-N-(2-methylbutyl)piperidine-4-carboxamide
CID 79470658
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide (CID 116678391) is 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide is CCC(C)CN(CC)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide?
The InChIKey is OOVRKDWZVUICDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-10(3)9-15(6-2)13(16)11(4)12-7-14-8-12/h10,14H,5-9H2,1-4H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide?
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.80, 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-ethyl-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 116678391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).