1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone

C18H25N5O2 — CID 33092839

IUPAC1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
SMILESC[C@@H]1CN(C(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CCO1
InChIInChI=1S/C18H25N5O2/c1-14-10-22(8-9-25-14)18(24)11-21(3)15(2)16-4-6-17(7-5-16)23-13-19-12-20-23/h4-7,12-15H,8-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyJOKMNJVUBXUOKH-CABCVRRESA-N
MW343.43 g/mol
LogP1.51
Rot. Bonds5

About 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone

1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone (PubChem CID 33092839) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
PubChem CID33092839
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
SMILESC[C@@H]1CN(C(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CCO1
InChIInChI=1S/C18H25N5O2/c1-14-10-22(8-9-25-14)18(24)11-21(3)15(2)16-4-6-17(7-5-16)23-13-19-12-20-23/h4-7,12-15H,8-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyJOKMNJVUBXUOKH-CABCVRRESA-N
XLogP1.51
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-1-yl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
CID 56812053
4-[2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetyl]piperazin-2-one
CID 47014069
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone
CID 124810847
2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 78807265
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 87014156
(2S)-1-[(2R)-2-methylmorpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94000206
N-[2,6-di(propan-2-yl)phenyl]-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 46823193
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 78818390
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]acetamide
CID 98619331
2-[acetyl(methyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 94092125
2-[cyclopropyl(ethyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 97099231
2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 46823144

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone?
The IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone (CID 33092839) is 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone.
What is the SMILES notation for 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone?
The canonical SMILES for 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone is C[C@@H]1CN(C(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CCO1.
What is the InChIKey of 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone?
The InChIKey is JOKMNJVUBXUOKH-CABCVRRESA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-10-22(8-9-25-14)18(24)11-21(3)15(2)16-4-6-17(7-5-16)23-13-19-12-20-23/h4-7,12-15H,8-11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone?
1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylmorpholin-4-yl]-2-[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]ethanone is sourced from PubChem (CID 33092839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).