2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide

C15H28N4O2 — CID 129334529

IUPAC2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@H]1CN(CC(C)(C)CCC#N)CCO1
InChIInChI=1S/C15H28N4O2/c1-15(2,5-4-6-16)12-19-7-8-21-13(10-19)9-18(3)11-14(17)20/h13H,4-5,7-12H2,1-3H3,(H2,17,20)/t13-/m0/s1
InChIKeyHIDNLUYYBJLEJI-ZDUSSCGKSA-N
MW296.42 g/mol
LogP0.43
Rot. Bonds8

About 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide

2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide (PubChem CID 129334529) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide
PubChem CID129334529
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)C[C@H]1CN(CC(C)(C)CCC#N)CCO1
InChIInChI=1S/C15H28N4O2/c1-15(2,5-4-6-16)12-19-7-8-21-13(10-19)9-18(3)11-14(17)20/h13H,4-5,7-12H2,1-3H3,(H2,17,20)/t13-/m0/s1
InChIKeyHIDNLUYYBJLEJI-ZDUSSCGKSA-N
XLogP0.43
TPSA82.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide (CID 129334529) is 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide is CN(CC(N)=O)C[C@H]1CN(CC(C)(C)CCC#N)CCO1.
What is the InChIKey of 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide?
The InChIKey is HIDNLUYYBJLEJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(2,5-4-6-16)12-19-7-8-21-13(10-19)9-18(3)11-14(17)20/h13H,4-5,7-12H2,1-3H3,(H2,17,20)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide?
2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide has a molecular weight of 296.42 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-(4-cyano-2,2-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 129334529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).