nonatetracontanediamide

C49H98N2O2 — CID 162734608

IUPACnonatetracontanediamide
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C49H98N2O2/c50-48(52)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49(51)53/h1-47H2,(H2,50,52)(H2,51,53)
InChIKeyKPOJANYOLOPMPL-UHFFFAOYSA-N
MW747.33 g/mol
LogP16.29
Rot. Bonds48

About nonatetracontanediamide

nonatetracontanediamide (PubChem CID 162734608) has the molecular formula C49H98N2O2 and a molecular weight of 747.33 g/mol. Its IUPAC name is nonatetracontanediamide.

Molecular Properties

Compound Namenonatetracontanediamide
PubChem CID162734608
Molecular FormulaC49H98N2O2
Molecular Weight747.33 g/mol
Exact Mass746.76
IUPAC Namenonatetracontanediamide
SMILESNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C49H98N2O2/c50-48(52)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49(51)53/h1-47H2,(H2,50,52)(H2,51,53)
InChIKeyKPOJANYOLOPMPL-UHFFFAOYSA-N
XLogP16.29
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds48
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.33
LogP ≤ 516.29
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

docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
pentadecanediamide
CID 87429217
copper;tridecanediamide
CID 159780260
hexanediamide;hydrazine
CID 160978463
hexanediamide;hydrazine
CID 160854105
34-amino-34-oxotetratriacontanoic acid
CID 139682719
6-hydroxyhexanamide
CID 11815390
24-amino-24-oxotetracosanoic acid
CID 139682769
16-aminohexadecanamide
CID 86033165
18-hydroxyoctadecanamide
CID 54261687
cyclohexane;hexanediamide
CID 22340258

Frequently Asked Questions

What is the IUPAC name of nonatetracontanediamide?
The IUPAC name of nonatetracontanediamide (CID 162734608) is nonatetracontanediamide.
What is the SMILES notation for nonatetracontanediamide?
The canonical SMILES for nonatetracontanediamide is NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of nonatetracontanediamide?
The InChIKey is KPOJANYOLOPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H98N2O2/c50-48(52)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49(51)53/h1-47H2,(H2,50,52)(H2,51,53).
What are the key properties of nonatetracontanediamide?
nonatetracontanediamide has a molecular weight of 747.33 g/mol, XLogP of 16.29, 48 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonatetracontanediamide is sourced from PubChem (CID 162734608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).