ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide

C15H32N2O2 — CID 163271749

IUPACethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide
SMILESCC.CC.CCC(=O)NC(C)CN1CC2CC1CO2
InChIInChI=1S/C11H20N2O2.2C2H6/c1-3-11(14)12-8(2)5-13-6-10-4-9(13)7-15-10;2*1-2/h8-10H,3-7H2,1-2H3,(H,12,14);2*1-2H3
InChIKeyBBWHERBPMZQAEJ-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.43
Rot. Bonds4

About ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide

ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide (PubChem CID 163271749) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Nameethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide
PubChem CID163271749
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nameethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide
SMILESCC.CC.CCC(=O)NC(C)CN1CC2CC1CO2
InChIInChI=1S/C11H20N2O2.2C2H6/c1-3-11(14)12-8(2)5-13-6-10-4-9(13)7-15-10;2*1-2/h8-10H,3-7H2,1-2H3,(H,12,14);2*1-2H3
InChIKeyBBWHERBPMZQAEJ-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylbutyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 90758578
2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)acetic acid
CID 84763815
3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)butanehydrazide
CID 130979675
1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol
CID 127008809
ethane;1-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 145255190
1-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethanone
CID 118104170
(E)-6-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]hept-4-en-3-one
CID 172577029
(1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170374659
methyl (1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 178070427
N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine
CID 135134845
2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetaldehyde
CID 87332082
(2R)-2-[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]butanoic acid
CID 129321933

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide?
The IUPAC name of ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide (CID 163271749) is ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide.
What is the SMILES notation for ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide?
The canonical SMILES for ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide is CC.CC.CCC(=O)NC(C)CN1CC2CC1CO2.
What is the InChIKey of ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide?
The InChIKey is BBWHERBPMZQAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.2C2H6/c1-3-11(14)12-8(2)5-13-6-10-4-9(13)7-15-10;2*1-2/h8-10H,3-7H2,1-2H3,(H,12,14);2*1-2H3.
What are the key properties of ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide?
ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide has a molecular weight of 272.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]propanamide is sourced from PubChem (CID 163271749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).