2-(2-hydroxypropyl)pentanediamide

C8H16N2O3 — CID 23104492

IUPAC2-(2-hydroxypropyl)pentanediamide
SMILESCC(O)CC(CCC(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-5(11)4-6(8(10)13)2-3-7(9)12/h5-6,11H,2-4H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyHIIAROLQTGYXQQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.88
Rot. Bonds6

About 2-(2-hydroxypropyl)pentanediamide

2-(2-hydroxypropyl)pentanediamide (PubChem CID 23104492) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)pentanediamide.

Molecular Properties

Compound Name2-(2-hydroxypropyl)pentanediamide
PubChem CID23104492
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-(2-hydroxypropyl)pentanediamide
SMILESCC(O)CC(CCC(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O3/c1-5(11)4-6(8(10)13)2-3-7(9)12/h5-6,11H,2-4H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyHIIAROLQTGYXQQ-UHFFFAOYSA-N
XLogP-0.88
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethylpentanediamide
CID 146526357
2-(2-hydroxyethyl)pentanediamide
CID 23104502
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
CID 100986466
2-hydroxypentanediamide
CID 559184
2,8-dihydroxynonan-5-one
CID 174799972
hexanediamide;propane-1,2-diol
CID 175159738
(4S)-4-amino-5-methylhexanamide
CID 90463437
2-(2-aminoethyl)-4-hydroxypentanoic acid
CID 104680935
6-fluoro-5-hydroxy-4-methylhexanamide
CID 118700037
(2S)-6,6-dimethyl-2-(2-methylpropyl)-5-oxooctanamide
CID 159888064

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)pentanediamide?
The IUPAC name of 2-(2-hydroxypropyl)pentanediamide (CID 23104492) is 2-(2-hydroxypropyl)pentanediamide.
What is the SMILES notation for 2-(2-hydroxypropyl)pentanediamide?
The canonical SMILES for 2-(2-hydroxypropyl)pentanediamide is CC(O)CC(CCC(N)=O)C(N)=O.
What is the InChIKey of 2-(2-hydroxypropyl)pentanediamide?
The InChIKey is HIIAROLQTGYXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(11)4-6(8(10)13)2-3-7(9)12/h5-6,11H,2-4H2,1H3,(H2,9,12)(H2,10,13).
What are the key properties of 2-(2-hydroxypropyl)pentanediamide?
2-(2-hydroxypropyl)pentanediamide has a molecular weight of 188.23 g/mol, XLogP of -0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)pentanediamide is sourced from PubChem (CID 23104492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).