N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide

C11H23NO4 — CID 163698443

IUPACN-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(CO)(CCO)CCO
InChIInChI=1S/C11H23NO4/c1-9(2)7-10(16)12-11(8-15,3-5-13)4-6-14/h9,13-15H,3-8H2,1-2H3,(H,12,16)
InChIKeyJYWZXGNURJLAFR-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.36
Rot. Bonds8

About N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide

N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide (PubChem CID 163698443) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
PubChem CID163698443
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC NameN-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(CO)(CCO)CCO
InChIInChI=1S/C11H23NO4/c1-9(2)7-10(16)12-11(8-15,3-5-13)4-6-14/h9,13-15H,3-8H2,1-2H3,(H,12,16)
InChIKeyJYWZXGNURJLAFR-UHFFFAOYSA-N
XLogP-0.36
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide?
The IUPAC name of N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide (CID 163698443) is N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide is CC(C)CC(=O)NC(CO)(CCO)CCO.
What is the InChIKey of N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide?
The InChIKey is JYWZXGNURJLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(2)7-10(16)12-11(8-15,3-5-13)4-6-14/h9,13-15H,3-8H2,1-2H3,(H,12,16).
What are the key properties of N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide?
N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide has a molecular weight of 233.31 g/mol, XLogP of -0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-dihydroxy-3-(hydroxymethyl)pentan-3-yl]-3-methylbutanamide is sourced from PubChem (CID 163698443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).