2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide

C13H24N2O3 — CID 113166068

IUPAC2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-10(16)15(13(2,3)4)9-12(17)14-8-11-6-5-7-18-11/h11H,5-9H2,1-4H3,(H,14,17)
InChIKeyGUBVEKHSUAQNBI-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds4

About 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide

2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113166068) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113166068
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-10(16)15(13(2,3)4)9-12(17)14-8-11-6-5-7-18-11/h11H,5-9H2,1-4H3,(H,14,17)
InChIKeyGUBVEKHSUAQNBI-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid
CID 63646322
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
3-[acetyl(propyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113114927
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 113166068) is 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCC1CCCO1)C(C)(C)C.
What is the InChIKey of 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GUBVEKHSUAQNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(16)15(13(2,3)4)9-12(17)14-8-11-6-5-7-18-11/h11H,5-9H2,1-4H3,(H,14,17).
What are the key properties of 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113166068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).