N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide

C13H24N2O3 — CID 167938001

IUPACN-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide
SMILESCOCC1CCN1C(=O)NC1CCC(C)(O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(17)6-3-10(4-7-13)14-12(16)15-8-5-11(15)9-18-2/h10-11,17H,3-9H2,1-2H3,(H,14,16)
InChIKeyGNCLHWREAGBCTR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.11
Rot. Bonds3

About N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide

N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide (PubChem CID 167938001) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide
PubChem CID167938001
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide
SMILESCOCC1CCN1C(=O)NC1CCC(C)(O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(17)6-3-10(4-7-13)14-12(16)15-8-5-11(15)9-18-2/h10-11,17H,3-9H2,1-2H3,(H,14,16)
InChIKeyGNCLHWREAGBCTR-UHFFFAOYSA-N
XLogP1.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)azetidin-1-yl]ethanone
CID 176625607
ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 22273026
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404109
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide
CID 91909230
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
2-(methoxymethyl)-N-(3-methoxy-2-methylbutyl)pyrrolidine-1-carboxamide
CID 90224450

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide (CID 167938001) is N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide is COCC1CCN1C(=O)NC1CCC(C)(O)CC1.
What is the InChIKey of N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide?
The InChIKey is GNCLHWREAGBCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(17)6-3-10(4-7-13)14-12(16)15-8-5-11(15)9-18-2/h10-11,17H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide?
N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-methylcyclohexyl)-2-(methoxymethyl)azetidine-1-carboxamide is sourced from PubChem (CID 167938001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).