N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide

C14H28N2O2 — CID 119607721

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide
SMILESCC1CCC(CCC(=O)NC(C)(CN)C(C)C)O1
InChIInChI=1S/C14H28N2O2/c1-10(2)14(4,9-15)16-13(17)8-7-12-6-5-11(3)18-12/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyYCLYOJINWPLGSW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.82
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide (PubChem CID 119607721) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide
PubChem CID119607721
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide
SMILESCC1CCC(CCC(=O)NC(C)(CN)C(C)C)O1
InChIInChI=1S/C14H28N2O2/c1-10(2)14(4,9-15)16-13(17)8-7-12-6-5-11(3)18-12/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyYCLYOJINWPLGSW-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide (CID 119607721) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide is CC1CCC(CCC(=O)NC(C)(CN)C(C)C)O1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide?
The InChIKey is YCLYOJINWPLGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)14(4,9-15)16-13(17)8-7-12-6-5-11(3)18-12/h10-12H,5-9,15H2,1-4H3,(H,16,17).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-methyloxolan-2-yl)propanamide is sourced from PubChem (CID 119607721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).