butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide

C16H31NO6 — CID 23615613

IUPACbutanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
SMILESCCCCC(CC)CNC(=O)CC(C)O.O=C(O)CCC(=O)O
InChIInChI=1S/C12H25NO2.C4H6O4/c1-4-6-7-11(5-2)9-13-12(15)8-10(3)14;5-3(6)1-2-4(7)8/h10-11,14H,4-9H2,1-3H3,(H,13,15);1-2H2,(H,5,6)(H,7,8)
InChIKeyVEUPQSBURJGBGK-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.03
Rot. Bonds11

About butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide

butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide (PubChem CID 23615613) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide.

Molecular Properties

Compound Namebutanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
PubChem CID23615613
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC Namebutanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide
SMILESCCCCC(CC)CNC(=O)CC(C)O.O=C(O)CCC(=O)O
InChIInChI=1S/C12H25NO2.C4H6O4/c1-4-6-7-11(5-2)9-13-12(15)8-10(3)14;5-3(6)1-2-4(7)8/h10-11,14H,4-9H2,1-3H3,(H,13,15);1-2H2,(H,5,6)(H,7,8)
InChIKeyVEUPQSBURJGBGK-UHFFFAOYSA-N
XLogP2.03
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
3-(3-ethylheptanoylamino)-2-methylpropanoic acid
CID 119237585
2-[3-(2-ethylhexylamino)-3-oxopropyl]sulfanylbutanedioic acid
CID 101147657
4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55155767
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618
butanedioic acid;2-ethylhexan-1-ol
CID 159770263
3-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 114004348
4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
CID 107817325

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide?
The IUPAC name of butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide (CID 23615613) is butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide.
What is the SMILES notation for butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide?
The canonical SMILES for butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide is CCCCC(CC)CNC(=O)CC(C)O.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide?
The InChIKey is VEUPQSBURJGBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.C4H6O4/c1-4-6-7-11(5-2)9-13-12(15)8-10(3)14;5-3(6)1-2-4(7)8/h10-11,14H,4-9H2,1-3H3,(H,13,15);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide?
butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide has a molecular weight of 333.43 g/mol, XLogP of 2.03, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;N-(2-ethylhexyl)-3-hydroxybutanamide is sourced from PubChem (CID 23615613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).