N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide

C15H25NO2 — CID 178173987

IUPACN-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C1CC(C2CCCCC2)O1
InChIInChI=1S/C15H25NO2/c1-10(2)15(17)16-11(3)13-9-14(18-13)12-7-5-4-6-8-12/h11-14H,1,4-9H2,2-3H3,(H,16,17)
InChIKeyNLYZIEKVZIJLPE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.81
Rot. Bonds4

About N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide

N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 178173987) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide
PubChem CID178173987
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C1CC(C2CCCCC2)O1
InChIInChI=1S/C15H25NO2/c1-10(2)15(17)16-11(3)13-9-14(18-13)12-7-5-4-6-8-12/h11-14H,1,4-9H2,2-3H3,(H,16,17)
InChIKeyNLYZIEKVZIJLPE-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.81
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

N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide
CID 178173996
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 101187737
N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 175055430
N-[3-hydroxy-1-(oxolan-2-yl)propyl]-2-methylprop-2-enamide
CID 178173984
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
1-cyclohexyl-1-hydroxy-4-methylpent-4-en-2-one
CID 103457687
ethyl 2-oxo-2-[1-(oxolan-2-yl)ethylamino]acetate
CID 60895927
acetic acid;cyclohexylcyclohexane
CID 67293698
N-(2-cyclohexylethyl)-2-methylprop-2-enamide
CID 23044860

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide (CID 178173987) is N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)C1CC(C2CCCCC2)O1.
What is the InChIKey of N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is NLYZIEKVZIJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)15(17)16-11(3)13-9-14(18-13)12-7-5-4-6-8-12/h11-14H,1,4-9H2,2-3H3,(H,16,17).
What are the key properties of N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide?
N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 251.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexyloxetan-2-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 178173987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).