ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide

C15H31NO3 — CID 143855420

IUPACethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
SMILESCC.CC(C(=O)NCC1(O)CCOCC1)C(C)(C)C
InChIInChI=1S/C13H25NO3.C2H6/c1-10(12(2,3)4)11(15)14-9-13(16)5-7-17-8-6-13;1-2/h10,16H,5-9H2,1-4H3,(H,14,15);1-2H3
InChIKeyMKJIABUREMRLRI-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.35
Rot. Bonds3

About ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide

ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide (PubChem CID 143855420) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide.

Molecular Properties

Compound Nameethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
PubChem CID143855420
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Nameethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
SMILESCC.CC(C(=O)NCC1(O)CCOCC1)C(C)(C)C
InChIInChI=1S/C13H25NO3.C2H6/c1-10(12(2,3)4)11(15)14-9-13(16)5-7-17-8-6-13;1-2/h10,16H,5-9H2,1-4H3,(H,14,15);1-2H3
InChIKeyMKJIABUREMRLRI-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide?
The IUPAC name of ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide (CID 143855420) is ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide.
What is the SMILES notation for ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide?
The canonical SMILES for ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide is CC.CC(C(=O)NCC1(O)CCOCC1)C(C)(C)C.
What is the InChIKey of ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide?
The InChIKey is MKJIABUREMRLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3.C2H6/c1-10(12(2,3)4)11(15)14-9-13(16)5-7-17-8-6-13;1-2/h10,16H,5-9H2,1-4H3,(H,14,15);1-2H3.
What are the key properties of ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide?
ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide has a molecular weight of 273.42 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 143855420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).