2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide

C13H26N2O4 — CID 89382357

IUPAC2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
SMILESCCC(CC(CC)C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C13H26N2O4/c1-3-10(12(18)14-5-7-16)9-11(4-2)13(19)15-6-8-17/h10-11,16-17H,3-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyONYAVXPRYHCAAL-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.35
Rot. Bonds10

About 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide

2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide (PubChem CID 89382357) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide.

Molecular Properties

Compound Name2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
PubChem CID89382357
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
SMILESCCC(CC(CC)C(=O)NCCO)C(=O)NCCO
InChIInChI=1S/C13H26N2O4/c1-3-10(12(18)14-5-7-16)9-11(4-2)13(19)15-6-8-17/h10-11,16-17H,3-9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyONYAVXPRYHCAAL-UHFFFAOYSA-N
XLogP-0.35
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diethyl-N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentanediamide
CID 89382356
2-hydroxy-N-(2-hydroxyethyl)butanamide
CID 86250603
2-hydroxy-N-(2-hydroxyethyl)butanamide;phosphoric acid
CID 87238099
5-(2-ethylpentanoylamino)-N-(2-hydroxyethyl)-3-methyl-2-propylpentanamide
CID 139501120
N,N'-bis(2-hydroxyethyl)-2,4-bis(sulfanyl)pentanediamide
CID 23104493
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
CID 87238089
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide?
The IUPAC name of 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide (CID 89382357) is 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide.
What is the SMILES notation for 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide?
The canonical SMILES for 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide is CCC(CC(CC)C(=O)NCCO)C(=O)NCCO.
What is the InChIKey of 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide?
The InChIKey is ONYAVXPRYHCAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-3-10(12(18)14-5-7-16)9-11(4-2)13(19)15-6-8-17/h10-11,16-17H,3-9H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide?
2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide has a molecular weight of 274.36 g/mol, XLogP of -0.35, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide is sourced from PubChem (CID 89382357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).