2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide

C13H22N2O — CID 116674519

IUPAC2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCCCC1C)=C1CNC1
InChIInChI=1S/C13H22N2O/c1-9-5-3-4-6-12(9)15-13(16)10(2)11-7-14-8-11/h9,12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyLHJWPAQKDXZBRQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.60
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide

2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide (PubChem CID 116674519) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide
PubChem CID116674519
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCCCC1C)=C1CNC1
InChIInChI=1S/C13H22N2O/c1-9-5-3-4-6-12(9)15-13(16)10(2)11-7-14-8-11/h9,12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyLHJWPAQKDXZBRQ-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azetidin-3-ylidene)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 107221925
2-[2-(azetidin-3-ylidene)propanoylamino]cyclopentane-1-carboxylic acid
CID 116678139
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
2-(azetidin-3-ylidene)-N-(oxolan-3-yl)propanamide
CID 116678511
2-chloro-N-(2-methylcycloheptyl)prop-2-enamide
CID 131015397
(2-methylcyclohexyl)urea
CID 3345444
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121272
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide (CID 116674519) is 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide is CC(C(=O)NC1CCCCC1C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide?
The InChIKey is LHJWPAQKDXZBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-5-3-4-6-12(9)15-13(16)10(2)11-7-14-8-11/h9,12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 116674519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).