N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide

C16H32N2O4 — CID 177166952

IUPACN-butyl-N'-(3,5-dihydroxyoctyl)butanediamide
SMILESCCCCNC(=O)CCC(=O)NCCC(O)CC(O)CCC
InChIInChI=1S/C16H32N2O4/c1-3-5-10-17-15(21)7-8-16(22)18-11-9-14(20)12-13(19)6-4-2/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyRKZROJPAAPNHGH-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.10
Rot. Bonds13

About N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide

N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide (PubChem CID 177166952) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide.

Molecular Properties

Compound NameN-butyl-N'-(3,5-dihydroxyoctyl)butanediamide
PubChem CID177166952
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC NameN-butyl-N'-(3,5-dihydroxyoctyl)butanediamide
SMILESCCCCNC(=O)CCC(=O)NCCC(O)CC(O)CCC
InChIInChI=1S/C16H32N2O4/c1-3-5-10-17-15(21)7-8-16(22)18-11-9-14(20)12-13(19)6-4-2/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyRKZROJPAAPNHGH-UHFFFAOYSA-N
XLogP1.10
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(3R,5S)-3,5-dihydroxy-7-methyloctyl]-N-(3-methylbutyl)butanediamide
CID 177167256
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
N-(2-hydroxypentyl)pentanamide
CID 115700612
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N'-butylbutanediamide
CID 12550556
N-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
N-butyl-7-methyloctanamide
CID 154028337
N-(4,4-dihydroxybutyl)decanamide
CID 163472337
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
N-(16-hydroxyoctadecyl)decanamide
CID 90886549
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide?
The IUPAC name of N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide (CID 177166952) is N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide.
What is the SMILES notation for N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide?
The canonical SMILES for N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide is CCCCNC(=O)CCC(=O)NCCC(O)CC(O)CCC.
What is the InChIKey of N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide?
The InChIKey is RKZROJPAAPNHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-3-5-10-17-15(21)7-8-16(22)18-11-9-14(20)12-13(19)6-4-2/h13-14,19-20H,3-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide?
N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide has a molecular weight of 316.44 g/mol, XLogP of 1.10, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(3,5-dihydroxyoctyl)butanediamide is sourced from PubChem (CID 177166952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).