2,3-dihydroxy-N,N'-dipropylbutanediamide

C10H20N2O4 — CID 13226339

IUPAC2,3-dihydroxy-N,N'-dipropylbutanediamide
SMILESCCCNC(=O)C(O)C(O)C(=O)NCCC
InChIInChI=1S/C10H20N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyGCNAACQQQUCOMO-UHFFFAOYSA-N
MW232.28 g/mol
LogP-1.24
Rot. Bonds7

About 2,3-dihydroxy-N,N'-dipropylbutanediamide

2,3-dihydroxy-N,N'-dipropylbutanediamide (PubChem CID 13226339) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,3-dihydroxy-N,N'-dipropylbutanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-N,N'-dipropylbutanediamide
PubChem CID13226339
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2,3-dihydroxy-N,N'-dipropylbutanediamide
SMILESCCCNC(=O)C(O)C(O)C(=O)NCCC
InChIInChI=1S/C10H20N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyGCNAACQQQUCOMO-UHFFFAOYSA-N
XLogP-1.24
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide
CID 91190770
2-iodo-N-propylpropanamide
CID 64787589
(2R,3R)-2,3-dihydroxy-N,N'-bis[2-(octanoylamino)ethyl]butanediamide
CID 139749513
2-amino-N-propylpropanamide;ethane
CID 142837247
2,3-dihydroxy-N,N'-bis(hydroxymethyl)butanediamide
CID 5088002
dihydroxymethyl N-propylcarbamate
CID 174469308
2-amino-N-propylpentanamide
CID 43649977
2-methylsulfanyl-N-propylpropanamide
CID 131085433
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
[(3S)-2-hydroxy-1-oxo-1-(propylamino)hexan-3-yl] prop-2-enoate
CID 57104955

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N,N'-dipropylbutanediamide?
The IUPAC name of 2,3-dihydroxy-N,N'-dipropylbutanediamide (CID 13226339) is 2,3-dihydroxy-N,N'-dipropylbutanediamide.
What is the SMILES notation for 2,3-dihydroxy-N,N'-dipropylbutanediamide?
The canonical SMILES for 2,3-dihydroxy-N,N'-dipropylbutanediamide is CCCNC(=O)C(O)C(O)C(=O)NCCC.
What is the InChIKey of 2,3-dihydroxy-N,N'-dipropylbutanediamide?
The InChIKey is GCNAACQQQUCOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of 2,3-dihydroxy-N,N'-dipropylbutanediamide?
2,3-dihydroxy-N,N'-dipropylbutanediamide has a molecular weight of 232.28 g/mol, XLogP of -1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N,N'-dipropylbutanediamide is sourced from PubChem (CID 13226339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).