N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane

C10H23NO3 — CID 144882052

IUPACN-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane
SMILESCC.CC(=O)N(C)CCC(C)(O)CO
InChIInChI=1S/C8H17NO3.C2H6/c1-7(11)9(3)5-4-8(2,12)6-10;1-2/h10,12H,4-6H2,1-3H3;1-2H3
InChIKeyUVBXIDQDUXMQJR-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.62
Rot. Bonds4

About N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane

N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane (PubChem CID 144882052) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane.

Molecular Properties

Compound NameN-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane
PubChem CID144882052
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC NameN-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane
SMILESCC.CC(=O)N(C)CCC(C)(O)CO
InChIInChI=1S/C8H17NO3.C2H6/c1-7(11)9(3)5-4-8(2,12)6-10;1-2/h10,12H,4-6H2,1-3H3;1-2H3
InChIKeyUVBXIDQDUXMQJR-UHFFFAOYSA-N
XLogP0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane?
The IUPAC name of N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane (CID 144882052) is N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane.
What is the SMILES notation for N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane?
The canonical SMILES for N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane is CC.CC(=O)N(C)CCC(C)(O)CO.
What is the InChIKey of N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane?
The InChIKey is UVBXIDQDUXMQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.C2H6/c1-7(11)9(3)5-4-8(2,12)6-10;1-2/h10,12H,4-6H2,1-3H3;1-2H3.
What are the key properties of N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane?
N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane has a molecular weight of 205.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxy-3-methylbutyl)-N-methylacetamide;ethane is sourced from PubChem (CID 144882052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).