N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide

C16H30N2O3 — CID 53244981

IUPACN-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCCC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-7-18-11-16(5,6)21-14(20)12(18)10-13(19)17-9-8-15(2,3)4/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyKMUCZCUNIJFNGE-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds5

About N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide

N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (PubChem CID 53244981) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
PubChem CID53244981
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)NCCC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-7-18-11-16(5,6)21-14(20)12(18)10-13(19)17-9-8-15(2,3)4/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyKMUCZCUNIJFNGE-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide (CID 53244981) is N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is CCN1CC(C)(C)OC(=O)C1CC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
The InChIKey is KMUCZCUNIJFNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-7-18-11-16(5,6)21-14(20)12(18)10-13(19)17-9-8-15(2,3)4/h12H,7-11H2,1-6H3,(H,17,19).
What are the key properties of N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide?
N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide is sourced from PubChem (CID 53244981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).