N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide

C13H26N2O2 — CID 114113576

IUPACN-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide
SMILESCCC(C)(C)NC(=O)CNC1(C)CCCOC1
InChIInChI=1S/C13H26N2O2/c1-5-12(2,3)15-11(16)9-14-13(4)7-6-8-17-10-13/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyPMNVTAHQBGNJBZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide

N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide (PubChem CID 114113576) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide
PubChem CID114113576
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide
SMILESCCC(C)(C)NC(=O)CNC1(C)CCCOC1
InChIInChI=1S/C13H26N2O2/c1-5-12(2,3)15-11(16)9-14-13(4)7-6-8-17-10-13/h14H,5-10H2,1-4H3,(H,15,16)
InChIKeyPMNVTAHQBGNJBZ-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide (CID 114113576) is N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide is CCC(C)(C)NC(=O)CNC1(C)CCCOC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide?
The InChIKey is PMNVTAHQBGNJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-12(2,3)15-11(16)9-14-13(4)7-6-8-17-10-13/h14H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide?
N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide is sourced from PubChem (CID 114113576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).