3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide

C12H20F3N3O3 — CID 138022732

IUPAC3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCOC1(C(F)(F)F)CN(C(=O)NCC2CN(C)CCO2)C1
InChIInChI=1S/C12H20F3N3O3/c1-17-3-4-21-9(6-17)5-16-10(19)18-7-11(8-18,20-2)12(13,14)15/h9H,3-8H2,1-2H3,(H,16,19)
InChIKeyYRICZFUIBIANSK-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.29
Rot. Bonds3

About 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide

3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 138022732) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID138022732
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCOC1(C(F)(F)F)CN(C(=O)NCC2CN(C)CCO2)C1
InChIInChI=1S/C12H20F3N3O3/c1-17-3-4-21-9(6-17)5-16-10(19)18-7-11(8-18,20-2)12(13,14)15/h9H,3-8H2,1-2H3,(H,16,19)
InChIKeyYRICZFUIBIANSK-UHFFFAOYSA-N
XLogP0.29
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79071056
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79083458
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79082179
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
1-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutane-1-carboxamide
CID 122566549
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79072248
1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide (CID 138022732) is 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide is COC1(C(F)(F)F)CN(C(=O)NCC2CN(C)CCO2)C1.
What is the InChIKey of 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is YRICZFUIBIANSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-17-3-4-21-9(6-17)5-16-10(19)18-7-11(8-18,20-2)12(13,14)15/h9H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide?
3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 138022732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).