nonanoic acid;pentanediamide

C14H28N2O4 — CID 175768289

IUPACnonanoic acid;pentanediamide
SMILESCCCCCCCCC(=O)O.NC(=O)CCCC(N)=O
InChIInChI=1S/C9H18O2.C5H10N2O2/c1-2-3-4-5-6-7-8-9(10)11;6-4(8)2-1-3-5(7)9/h2-8H2,1H3,(H,10,11);1-3H2,(H2,6,8)(H2,7,9)
InChIKeyPFGCNYZQGKIBOH-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.95
Rot. Bonds11

About nonanoic acid;pentanediamide

nonanoic acid;pentanediamide (PubChem CID 175768289) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is nonanoic acid;pentanediamide.

Molecular Properties

Compound Namenonanoic acid;pentanediamide
PubChem CID175768289
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namenonanoic acid;pentanediamide
SMILESCCCCCCCCC(=O)O.NC(=O)CCCC(N)=O
InChIInChI=1S/C9H18O2.C5H10N2O2/c1-2-3-4-5-6-7-8-9(10)11;6-4(8)2-1-3-5(7)9/h2-8H2,1H3,(H,10,11);1-3H2,(H2,6,8)(H2,7,9)
InChIKeyPFGCNYZQGKIBOH-UHFFFAOYSA-N
XLogP1.95
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecanamide;hexanoic acid
CID 19807771
dodecanamide;dodecanoic acid
CID 23079031
CID 172852931
CID 172852931
carbamic acid;docosanoic acid
CID 170310073
hexadecanoic acid;pentanedioic acid
CID 159789250
dodecanoic acid;tris(2-hydroxyacetamide)
CID 161152486
azane;carbamic acid;hexadecanoic acid
CID 174832395
decanoic acid
CID 173247116
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of nonanoic acid;pentanediamide?
The IUPAC name of nonanoic acid;pentanediamide (CID 175768289) is nonanoic acid;pentanediamide.
What is the SMILES notation for nonanoic acid;pentanediamide?
The canonical SMILES for nonanoic acid;pentanediamide is CCCCCCCCC(=O)O.NC(=O)CCCC(N)=O.
What is the InChIKey of nonanoic acid;pentanediamide?
The InChIKey is PFGCNYZQGKIBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C5H10N2O2/c1-2-3-4-5-6-7-8-9(10)11;6-4(8)2-1-3-5(7)9/h2-8H2,1H3,(H,10,11);1-3H2,(H2,6,8)(H2,7,9).
What are the key properties of nonanoic acid;pentanediamide?
nonanoic acid;pentanediamide has a molecular weight of 288.39 g/mol, XLogP of 1.95, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonanoic acid;pentanediamide is sourced from PubChem (CID 175768289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).