N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide

C13H23NO2 — CID 166410255

IUPACN-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CCCC[C@@H]1OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-5-12(15)14-10-8-6-7-9-11(10)16-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyDXJLHLLPVJLZMA-QWRGUYRKSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds3

About N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide

N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide (PubChem CID 166410255) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide
PubChem CID166410255
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CCCC[C@@H]1OC(C)(C)C
InChIInChI=1S/C13H23NO2/c1-5-12(15)14-10-8-6-7-9-11(10)16-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyDXJLHLLPVJLZMA-QWRGUYRKSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
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

(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 59906415
N-(2-phenylmethoxycyclohexyl)prop-2-enamide
CID 139017249
[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate
CID 11065075
2-iodo-4-methyl-N-[(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]benzamide
CID 11774347
N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
CID 63475627
N-cyclodecylprop-2-enamide
CID 18400354
tert-butyl N-[[(1S,2R)-2-(prop-2-enoylamino)cyclobutyl]methyl]carbamate
CID 166416215
N-[2-[bis(trifluoromethylsulfonyl)methyl]cyclohexyl]prop-2-enamide
CID 89253795
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
N-[2-[bis(trifluoromethylsulfonyl)methyl]cyclopentyl]prop-2-enamide
CID 89253761
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
CID 43698480

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide?
The IUPAC name of N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide (CID 166410255) is N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide is C=CC(=O)N[C@H]1CCCC[C@@H]1OC(C)(C)C.
What is the InChIKey of N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide?
The InChIKey is DXJLHLLPVJLZMA-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-12(15)14-10-8-6-7-9-11(10)16-13(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide?
N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide has a molecular weight of 225.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 166410255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).