2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide

C15H26N2O — CID 116678457

IUPAC2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCC(C)(C)CC1)=C1CNC1
InChIInChI=1S/C15H26N2O/c1-11(12-9-16-10-12)14(18)17(4)13-5-7-15(2,3)8-6-13/h13,16H,5-10H2,1-4H3
InChIKeyXWIGRFBSDLXMEI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide

2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide (PubChem CID 116678457) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide
PubChem CID116678457
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CCC(C)(C)CC1)=C1CNC1
InChIInChI=1S/C15H26N2O/c1-11(12-9-16-10-12)14(18)17(4)13-5-7-15(2,3)8-6-13/h13,16H,5-10H2,1-4H3
InChIKeyXWIGRFBSDLXMEI-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
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

methyl 2-[(4,4-dimethylcyclohexyl)-methylamino]-2-oxoacetate
CID 112617451
2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 116677655
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
2-(azetidin-3-ylidene)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 116677920
(2S)-2-amino-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide;hydrochloride
CID 119328237
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
CID 116674814
N-(4-hydroxy-4-methylcyclohexyl)-N-methylacetamide
CID 167220472
2-(azetidin-3-ylidene)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 116674986
2-(azetidin-3-ylidene)-N-(4-fluorophenyl)-N-methylpropanamide
CID 116677578
2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
CID 116678011
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
CID 116678391
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide (CID 116678457) is 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide is CC(C(=O)N(C)C1CCC(C)(C)CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide?
The InChIKey is XWIGRFBSDLXMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(12-9-16-10-12)14(18)17(4)13-5-7-15(2,3)8-6-13/h13,16H,5-10H2,1-4H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide?
2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide has a molecular weight of 250.39 g/mol, XLogP of 2.33, 2 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-(4,4-dimethylcyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 116678457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).