N'-dodecylbutanediamide

C16H32N2O2 — CID 19973702

IUPACN'-dodecylbutanediamide
SMILESCCCCCCCCCCCCNC(=O)CCC(N)=O
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-18-16(20)13-12-15(17)19/h2-14H2,1H3,(H2,17,19)(H,18,20)
InChIKeyJYNYGTPWIRTSGG-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.29
Rot. Bonds14

About N'-dodecylbutanediamide

N'-dodecylbutanediamide (PubChem CID 19973702) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N'-dodecylbutanediamide.

Molecular Properties

Compound NameN'-dodecylbutanediamide
PubChem CID19973702
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN'-dodecylbutanediamide
SMILESCCCCCCCCCCCCNC(=O)CCC(N)=O
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-18-16(20)13-12-15(17)19/h2-14H2,1H3,(H2,17,19)(H,18,20)
InChIKeyJYNYGTPWIRTSGG-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-icosylbutanediamide
CID 175408923
disodium;hydride;N'-octadecylbutanediamide
CID 175169535
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-docosyldocosanediamide
CID 91257562
22-(docosanoylamino)docosanamide
CID 90926402
N'-octylhexanediamide
CID 18377759
N'-butylbutanediamide
CID 12550556
N'-heptylundecanediamide;propanoic acid
CID 175230905
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N'-dodecylbutanediamide?
The IUPAC name of N'-dodecylbutanediamide (CID 19973702) is N'-dodecylbutanediamide.
What is the SMILES notation for N'-dodecylbutanediamide?
The canonical SMILES for N'-dodecylbutanediamide is CCCCCCCCCCCCNC(=O)CCC(N)=O.
What is the InChIKey of N'-dodecylbutanediamide?
The InChIKey is JYNYGTPWIRTSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-18-16(20)13-12-15(17)19/h2-14H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N'-dodecylbutanediamide?
N'-dodecylbutanediamide has a molecular weight of 284.44 g/mol, XLogP of 3.29, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecylbutanediamide is sourced from PubChem (CID 19973702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).