N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide

C13H22BrNO4 — CID 90833088

IUPACN-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
SMILESCCC(CC)OC1C=C(Br)C(O)C(O)C1NC(C)=O
InChIInChI=1S/C13H22BrNO4/c1-4-8(5-2)19-10-6-9(14)12(17)13(18)11(10)15-7(3)16/h6,8,10-13,17-18H,4-5H2,1-3H3,(H,15,16)
InChIKeyJEZHENPINVVYJZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP1.08
Rot. Bonds5

About N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide

N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide (PubChem CID 90833088) has the molecular formula C13H22BrNO4 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
PubChem CID90833088
Molecular FormulaC13H22BrNO4
Molecular Weight336.23 g/mol
Exact Mass335.07
IUPAC NameN-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
SMILESCCC(CC)OC1C=C(Br)C(O)C(O)C1NC(C)=O
InChIInChI=1S/C13H22BrNO4/c1-4-8(5-2)19-10-6-9(14)12(17)13(18)11(10)15-7(3)16/h6,8,10-13,17-18H,4-5H2,1-3H3,(H,15,16)
InChIKeyJEZHENPINVVYJZ-UHFFFAOYSA-N
XLogP1.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide?
The IUPAC name of N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide (CID 90833088) is N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide is CCC(CC)OC1C=C(Br)C(O)C(O)C1NC(C)=O.
What is the InChIKey of N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide?
The InChIKey is JEZHENPINVVYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO4/c1-4-8(5-2)19-10-6-9(14)12(17)13(18)11(10)15-7(3)16/h6,8,10-13,17-18H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide?
N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide has a molecular weight of 336.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide is sourced from PubChem (CID 90833088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).