(2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide

C13H23N5O2 — CID 99857623

IUPAC(2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)N[C@H](C)Cn2cncn2)CCO1
InChIInChI=1S/C13H23N5O2/c1-4-13(3)8-17(5-6-20-13)12(19)16-11(2)7-18-10-14-9-15-18/h9-11H,4-8H2,1-3H3,(H,16,19)/t11-,13-/m1/s1
InChIKeyBBDZBOLIYFBFQZ-DGCLKSJQSA-N
MW281.36 g/mol
LogP0.88
Rot. Bonds4

About (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide

(2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 99857623) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
PubChem CID99857623
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name(2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)N[C@H](C)Cn2cncn2)CCO1
InChIInChI=1S/C13H23N5O2/c1-4-13(3)8-17(5-6-20-13)12(19)16-11(2)7-18-10-14-9-15-18/h9-11H,4-8H2,1-3H3,(H,16,19)/t11-,13-/m1/s1
InChIKeyBBDZBOLIYFBFQZ-DGCLKSJQSA-N
XLogP0.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-methyl-2-morpholin-4-ylbutyl)urea
CID 53504326
2-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]morpholine-4-carboxamide
CID 53517121
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 94020930
1-(1-ethyl-1,2,4-triazol-3-yl)-3-[(2S)-2-morpholin-4-ylbutyl]urea
CID 95046974
2-methyl-4-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 128387498
1-[(2R)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-3-(oxan-4-yl)urea
CID 129529771
3-methoxy-N-[3,3,3-trifluoro-2-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 132366503
3-methoxy-3-methyl-N-[3,3,3-trifluoro-2-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 132366504
3-methoxy-4-methyl-N-[3,3,3-trifluoro-2-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 132400605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide (CID 99857623) is (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide is CC[C@]1(C)CN(C(=O)N[C@H](C)Cn2cncn2)CCO1.
What is the InChIKey of (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is BBDZBOLIYFBFQZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-13(3)8-17(5-6-20-13)12(19)16-11(2)7-18-10-14-9-15-18/h9-11H,4-8H2,1-3H3,(H,16,19)/t11-,13-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide?
(2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 99857623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).