N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide

C14H28N2O4 — CID 23422571

IUPACN,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide
SMILESCC(C)N(O)C(=O)CCCCCCC(=O)N(O)C(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)15(19)13(17)9-7-5-6-8-10-14(18)16(20)12(3)4/h11-12,19-20H,5-10H2,1-4H3
InChIKeyNAZICRNQPKGKKV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.58
Rot. Bonds9

About N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide

N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide (PubChem CID 23422571) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide.

Molecular Properties

Compound NameN,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide
PubChem CID23422571
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide
SMILESCC(C)N(O)C(=O)CCCCCCC(=O)N(O)C(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)15(19)13(17)9-7-5-6-8-10-14(18)16(20)12(3)4/h11-12,19-20H,5-10H2,1-4H3
InChIKeyNAZICRNQPKGKKV-UHFFFAOYSA-N
XLogP2.58
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N,9-dimethyl-N-propan-2-yldecanamide
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N,8-dimethyl-N-propan-2-ylnonanamide
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ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
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CID 166695144
N-hydroxy-N-methyloctadecanamide
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1-[bis(1-hydroxyethyl)amino]ethanol;decanedioic acid
CID 87904285
N-ethenyl-N-propan-2-yldecanamide
CID 87389049
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
N-ethyl-N-(1-hydroxyethyl)hexanamide
CID 174417992

Frequently Asked Questions

What is the IUPAC name of N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide?
The IUPAC name of N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide (CID 23422571) is N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide.
What is the SMILES notation for N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide?
The canonical SMILES for N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide is CC(C)N(O)C(=O)CCCCCCC(=O)N(O)C(C)C.
What is the InChIKey of N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide?
The InChIKey is NAZICRNQPKGKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)15(19)13(17)9-7-5-6-8-10-14(18)16(20)12(3)4/h11-12,19-20H,5-10H2,1-4H3.
What are the key properties of N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide?
N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide has a molecular weight of 288.39 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihydroxy-N,N'-di(propan-2-yl)octanediamide is sourced from PubChem (CID 23422571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).