dodecanediamide;nonanediamide

C21H42N4O4 — CID 175017820

IUPACdodecanediamide;nonanediamide
SMILESNC(=O)CCCCCCCC(N)=O.NC(=O)CCCCCCCCCCC(N)=O
InChIInChI=1S/C12H24N2O2.C9H18N2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16;10-8(12)6-4-2-1-3-5-7-9(11)13/h1-10H2,(H2,13,15)(H2,14,16);1-7H2,(H2,10,12)(H2,11,13)
InChIKeyMJLQMHIZHFWJRU-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.55
Rot. Bonds19

About dodecanediamide;nonanediamide

dodecanediamide;nonanediamide (PubChem CID 175017820) has the molecular formula C21H42N4O4 and a molecular weight of 414.59 g/mol. Its IUPAC name is dodecanediamide;nonanediamide.

Molecular Properties

Compound Namedodecanediamide;nonanediamide
PubChem CID175017820
Molecular FormulaC21H42N4O4
Molecular Weight414.59 g/mol
Exact Mass414.32
IUPAC Namedodecanediamide;nonanediamide
SMILESNC(=O)CCCCCCCC(N)=O.NC(=O)CCCCCCCCCCC(N)=O
InChIInChI=1S/C12H24N2O2.C9H18N2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16;10-8(12)6-4-2-1-3-5-7-9(11)13/h1-10H2,(H2,13,15)(H2,14,16);1-7H2,(H2,10,12)(H2,11,13)
InChIKeyMJLQMHIZHFWJRU-UHFFFAOYSA-N
XLogP2.55
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.55
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

docosanediamide;hexacosanediamide
CID 129179979
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
copper;tridecanediamide
CID 159780260
hexanediamide;hydrazine
CID 160978463
hexanediamide;hydrazine
CID 160854105
6-hydroxyhexanamide
CID 11815390
24-amino-24-oxotetracosanoic acid
CID 139682769
34-amino-34-oxotetratriacontanoic acid
CID 139682719
18-hydroxyoctadecanamide
CID 54261687
16-aminohexadecanamide
CID 86033165
cyclohexane;hexanediamide
CID 22340258

Frequently Asked Questions

What is the IUPAC name of dodecanediamide;nonanediamide?
The IUPAC name of dodecanediamide;nonanediamide (CID 175017820) is dodecanediamide;nonanediamide.
What is the SMILES notation for dodecanediamide;nonanediamide?
The canonical SMILES for dodecanediamide;nonanediamide is NC(=O)CCCCCCCC(N)=O.NC(=O)CCCCCCCCCCC(N)=O.
What is the InChIKey of dodecanediamide;nonanediamide?
The InChIKey is MJLQMHIZHFWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C9H18N2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16;10-8(12)6-4-2-1-3-5-7-9(11)13/h1-10H2,(H2,13,15)(H2,14,16);1-7H2,(H2,10,12)(H2,11,13).
What are the key properties of dodecanediamide;nonanediamide?
dodecanediamide;nonanediamide has a molecular weight of 414.59 g/mol, XLogP of 2.55, 19 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanediamide;nonanediamide is sourced from PubChem (CID 175017820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).