1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide

C11H20N2O3 — CID 102607420

IUPAC1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(OC2COC2)C1
InChIInChI=1S/C11H20N2O3/c1-13-11(10(12)14)4-2-3-8(5-11)16-9-6-15-7-9/h8-9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyVXNWEKBKPVGWTP-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.21
Rot. Bonds4

About 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide

1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide (PubChem CID 102607420) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide
PubChem CID102607420
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(OC2COC2)C1
InChIInChI=1S/C11H20N2O3/c1-13-11(10(12)14)4-2-3-8(5-11)16-9-6-15-7-9/h8-9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyVXNWEKBKPVGWTP-UHFFFAOYSA-N
XLogP-0.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyloxy-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79638102
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide
CID 79634172
3-(3-fluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637419
3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637427
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641560
3-(3-ethylcyclohexyl)oxy-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79637128
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 103538200
3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79641394
3-amino-1-(methylamino)cyclopentane-1-carboxamide
CID 23523618
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637762
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide (CID 102607420) is 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(OC2COC2)C1.
What is the InChIKey of 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide?
The InChIKey is VXNWEKBKPVGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13-11(10(12)14)4-2-3-8(5-11)16-9-6-15-7-9/h8-9,13H,2-7H2,1H3,(H2,12,14).
What are the key properties of 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide?
1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(oxetan-3-yloxy)cyclohexane-1-carboxamide is sourced from PubChem (CID 102607420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).