2-(2-hydroxyethyl)pentanediamide

C7H14N2O3 — CID 23104502

IUPAC2-(2-hydroxyethyl)pentanediamide
SMILESNC(=O)CCC(CCO)C(N)=O
InChIInChI=1S/C7H14N2O3/c8-6(11)2-1-5(3-4-10)7(9)12/h5,10H,1-4H2,(H2,8,11)(H2,9,12)
InChIKeyXCLYOYZHVNHYNI-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.26
Rot. Bonds6

About 2-(2-hydroxyethyl)pentanediamide

2-(2-hydroxyethyl)pentanediamide (PubChem CID 23104502) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)pentanediamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)pentanediamide
PubChem CID23104502
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(2-hydroxyethyl)pentanediamide
SMILESNC(=O)CCC(CCO)C(N)=O
InChIInChI=1S/C7H14N2O3/c8-6(11)2-1-5(3-4-10)7(9)12/h5,10H,1-4H2,(H2,8,11)(H2,9,12)
InChIKeyXCLYOYZHVNHYNI-UHFFFAOYSA-N
XLogP-1.26
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethylpentanediamide
CID 146526357
5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
CID 100986466
2-(2-hydroxypropyl)pentanediamide
CID 23104492
2-(2-hydroxyethyl)tetradecanamide
CID 154187361
2-(3-aminopropyl)hexanediamide
CID 174684338
2-hydroxypentanediamide
CID 559184
5-oxo-2-(3-oxo-4-sulfanylbutyl)-6-sulfanylhexanamide
CID 57078512
9-amino-6-carbamoyl-2-methylsulfanyl-9-oxononanoic acid
CID 87656016
2-undecylhexanediamide
CID 174629940
2-propylhexadecanediamide
CID 142717306
2-(2-hydroxyethyl)propanediamide
CID 55288793
6-amino-4-carbamoylhexanoic acid
CID 87906467

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)pentanediamide?
The IUPAC name of 2-(2-hydroxyethyl)pentanediamide (CID 23104502) is 2-(2-hydroxyethyl)pentanediamide.
What is the SMILES notation for 2-(2-hydroxyethyl)pentanediamide?
The canonical SMILES for 2-(2-hydroxyethyl)pentanediamide is NC(=O)CCC(CCO)C(N)=O.
What is the InChIKey of 2-(2-hydroxyethyl)pentanediamide?
The InChIKey is XCLYOYZHVNHYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-6(11)2-1-5(3-4-10)7(9)12/h5,10H,1-4H2,(H2,8,11)(H2,9,12).
What are the key properties of 2-(2-hydroxyethyl)pentanediamide?
2-(2-hydroxyethyl)pentanediamide has a molecular weight of 174.20 g/mol, XLogP of -1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)pentanediamide is sourced from PubChem (CID 23104502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).