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

C15H26N2O2 — CID 116677186

IUPAC2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide
SMILESCC(C(=O)NCCCOC1CCCCC1)=C1CNC1
InChIInChI=1S/C15H26N2O2/c1-12(13-10-16-11-13)15(18)17-8-5-9-19-14-6-3-2-4-7-14/h14,16H,2-11H2,1H3,(H,17,18)
InChIKeyJMYVWVPXQJSLMK-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.76
Rot. Bonds6

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

2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide (PubChem CID 116677186) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide
PubChem CID116677186
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide
SMILESCC(C(=O)NCCCOC1CCCCC1)=C1CNC1
InChIInChI=1S/C15H26N2O2/c1-12(13-10-16-11-13)15(18)17-8-5-9-19-14-6-3-2-4-7-14/h14,16H,2-11H2,1H3,(H,17,18)
InChIKeyJMYVWVPXQJSLMK-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-4-ethylpiperidine-4-carboxamide
CID 63128684
N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
CID 119693443
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859
N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
CID 63869278
N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclohexyloxypropyl)-3-piperidin-4-ylpropanamide
CID 62210078

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide (CID 116677186) is 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide is CC(C(=O)NCCCOC1CCCCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide?
The InChIKey is JMYVWVPXQJSLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(13-10-16-11-13)15(18)17-8-5-9-19-14-6-3-2-4-7-14/h14,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide has a molecular weight of 266.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(3-cyclohexyloxypropyl)propanamide is sourced from PubChem (CID 116677186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).