N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C13H25N3O3 — CID 5097690

IUPACN-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)NC(=O)NC(C)(C)C)CC(C)O1
InChIInChI=1S/C13H25N3O3/c1-9-6-16(7-10(2)19-9)8-11(17)14-12(18)15-13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,17,18)
InChIKeyCVNFYSWSJSAOET-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.72
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 5097690) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID5097690
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)NC(=O)NC(C)(C)C)CC(C)O1
InChIInChI=1S/C13H25N3O3/c1-9-6-16(7-10(2)19-9)8-11(17)14-12(18)15-13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,17,18)
InChIKeyCVNFYSWSJSAOET-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 5097690) is N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)NC(=O)NC(C)(C)C)CC(C)O1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is CVNFYSWSJSAOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9-6-16(7-10(2)19-9)8-11(17)14-12(18)15-13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,17,18).
What are the key properties of N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 5097690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).