N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide

C13H26N2O3 — CID 22280867

IUPACN-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide
SMILESCNC1CCC(OCC(=O)N(C)CCCO)CC1
InChIInChI=1S/C13H26N2O3/c1-14-11-4-6-12(7-5-11)18-10-13(17)15(2)8-3-9-16/h11-12,14,16H,3-10H2,1-2H3
InChIKeyXTIZMWYOLILPLP-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds7

About N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide

N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide (PubChem CID 22280867) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide
PubChem CID22280867
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide
SMILESCNC1CCC(OCC(=O)N(C)CCCO)CC1
InChIInChI=1S/C13H26N2O3/c1-14-11-4-6-12(7-5-11)18-10-13(17)15(2)8-3-9-16/h11-12,14,16H,3-10H2,1-2H3
InChIKeyXTIZMWYOLILPLP-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(3-hydroxycyclohexyl)acetamide
CID 61693431
tert-butyl N-[4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethoxy]cyclohexyl]carbamate
CID 121581819
N-(4-hydroxycyclohexyl)-2,2-dimethoxyacetamide
CID 135025454
N-[3-(4-aminocyclohexyl)oxypropyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209454
N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103616648
2-[4-(methylamino)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 104454411
2-[4-(ethylamino)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 104454826
2-[4-(propylamino)cyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 104455208
N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 110890079
[4-[2-[3-Hydroxypropyl(methyl)amino]-2-oxoethoxy]cyclohexyl]-methylcarbamic acid
CID 22280859
trans-n-(3-Hydroxy-propyl)-n-methyl-3-(4-methylamino-cyclohexyloxy)-propionamide-hydrochloride
CID 22280869
N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide
CID 22280870

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide?
The IUPAC name of N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide (CID 22280867) is N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide is CNC1CCC(OCC(=O)N(C)CCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide?
The InChIKey is XTIZMWYOLILPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-14-11-4-6-12(7-5-11)18-10-13(17)15(2)8-3-9-16/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide?
N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide has a molecular weight of 258.36 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methyl-2-[4-(methylamino)cyclohexyl]oxyacetamide is sourced from PubChem (CID 22280867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).