N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide

C14H26N2O3 — CID 113056620

IUPACN-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCOCC1)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-11(17)16(14(2,3)4)8-7-15-13(18)12-5-9-19-10-6-12/h12H,5-10H2,1-4H3,(H,15,18)
InChIKeyBKQQWGWRRPGHKG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds4

About N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide

N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide (PubChem CID 113056620) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
PubChem CID113056620
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCOCC1)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-11(17)16(14(2,3)4)8-7-15-13(18)12-5-9-19-10-6-12/h12H,5-10H2,1-4H3,(H,15,18)
InChIKeyBKQQWGWRRPGHKG-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065
N-[2-[acetyl(propyl)amino]ethyl]oxane-4-carboxamide
CID 113051902
N-[2-(N-acetyl-4-bromoanilino)ethyl]oxane-4-carboxamide
CID 113060376
N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113056622
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]oxane-4-carboxamide
CID 113064554
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113065636
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]oxane-4-carboxamide
CID 113069640
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]oxane-4-carboxamide
CID 113060185

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide (CID 113056620) is N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide is CC(=O)N(CCNC(=O)C1CCOCC1)C(C)(C)C.
What is the InChIKey of N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide?
The InChIKey is BKQQWGWRRPGHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(17)16(14(2,3)4)8-7-15-13(18)12-5-9-19-10-6-12/h12H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide?
N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(tert-butyl)amino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113056620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).