ethane-1,2-diamine;bis(octadecanamide)

C38H82N4O2 — CID 22256983

IUPACethane-1,2-diamine;bis(octadecanamide)
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCC(N)=O.NCCN
InChIInChI=1S/2C18H37NO.C2H8N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2*2-17H2,1H3,(H2,19,20);1-4H2
InChIKeyVTYAMJBBERNKSU-UHFFFAOYSA-N
MW627.10 g/mol
LogP10.37
Rot. Bonds33

About ethane-1,2-diamine;bis(octadecanamide)

ethane-1,2-diamine;bis(octadecanamide) (PubChem CID 22256983) has the molecular formula C38H82N4O2 and a molecular weight of 627.10 g/mol. Its IUPAC name is ethane-1,2-diamine;bis(octadecanamide).

Molecular Properties

Compound Nameethane-1,2-diamine;bis(octadecanamide)
PubChem CID22256983
Molecular FormulaC38H82N4O2
Molecular Weight627.10 g/mol
Exact Mass626.64
IUPAC Nameethane-1,2-diamine;bis(octadecanamide)
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCC(N)=O.NCCN
InChIInChI=1S/2C18H37NO.C2H8N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2*2-17H2,1H3,(H2,19,20);1-4H2
InChIKeyVTYAMJBBERNKSU-UHFFFAOYSA-N
XLogP10.37
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.10
LogP ≤ 510.37
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

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tetrapentacontanamide
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ethanol;tridecanamide
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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;bis(octadecanamide)?
The IUPAC name of ethane-1,2-diamine;bis(octadecanamide) (CID 22256983) is ethane-1,2-diamine;bis(octadecanamide).
What is the SMILES notation for ethane-1,2-diamine;bis(octadecanamide)?
The canonical SMILES for ethane-1,2-diamine;bis(octadecanamide) is CCCCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCC(N)=O.NCCN.
What is the InChIKey of ethane-1,2-diamine;bis(octadecanamide)?
The InChIKey is VTYAMJBBERNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H37NO.C2H8N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2*2-17H2,1H3,(H2,19,20);1-4H2.
What are the key properties of ethane-1,2-diamine;bis(octadecanamide)?
ethane-1,2-diamine;bis(octadecanamide) has a molecular weight of 627.10 g/mol, XLogP of 10.37, 33 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;bis(octadecanamide) is sourced from PubChem (CID 22256983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).