2-(octadec-9-enylamino)acetamide

C20H40N2O — CID 54139059

IUPAC2-(octadec-9-enylamino)acetamide
SMILESCCCCCCCCC=CCCCCCCCCNCC(N)=O
InChIInChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20(21)23/h9-10,22H,2-8,11-19H2,1H3,(H2,21,23)
InChIKeyNZUCRBDNQGINCD-UHFFFAOYSA-N
MW324.55 g/mol
LogP5.10
Rot. Bonds18

About 2-(octadec-9-enylamino)acetamide

2-(octadec-9-enylamino)acetamide (PubChem CID 54139059) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 2-(octadec-9-enylamino)acetamide.

Molecular Properties

Compound Name2-(octadec-9-enylamino)acetamide
PubChem CID54139059
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name2-(octadec-9-enylamino)acetamide
SMILESCCCCCCCCC=CCCCCCCCCNCC(N)=O
InChIInChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20(21)23/h9-10,22H,2-8,11-19H2,1H3,(H2,21,23)
InChIKeyNZUCRBDNQGINCD-UHFFFAOYSA-N
XLogP5.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(octadec-9-enylamino)acetamide?
The IUPAC name of 2-(octadec-9-enylamino)acetamide (CID 54139059) is 2-(octadec-9-enylamino)acetamide.
What is the SMILES notation for 2-(octadec-9-enylamino)acetamide?
The canonical SMILES for 2-(octadec-9-enylamino)acetamide is CCCCCCCCC=CCCCCCCCCNCC(N)=O.
What is the InChIKey of 2-(octadec-9-enylamino)acetamide?
The InChIKey is NZUCRBDNQGINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20(21)23/h9-10,22H,2-8,11-19H2,1H3,(H2,21,23).
What are the key properties of 2-(octadec-9-enylamino)acetamide?
2-(octadec-9-enylamino)acetamide has a molecular weight of 324.55 g/mol, XLogP of 5.10, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octadec-9-enylamino)acetamide is sourced from PubChem (CID 54139059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).