(Z)-N-propan-2-yloctadec-9-enamide

C21H41NO — CID 6436377

IUPAC(Z)-N-propan-2-yloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3,(H,22,23)/b12-11-
InChIKeyFJMNGVBYKSEJNP-QXMHVHEDSA-N
MW323.56 g/mol
LogP6.55
Rot. Bonds16

About (Z)-N-propan-2-yloctadec-9-enamide

(Z)-N-propan-2-yloctadec-9-enamide (PubChem CID 6436377) has the molecular formula C21H41NO and a molecular weight of 323.56 g/mol. Its IUPAC name is (Z)-N-propan-2-yloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-propan-2-yloctadec-9-enamide
PubChem CID6436377
Molecular FormulaC21H41NO
Molecular Weight323.56 g/mol
Exact Mass323.32
IUPAC Name(Z)-N-propan-2-yloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3,(H,22,23)/b12-11-
InChIKeyFJMNGVBYKSEJNP-QXMHVHEDSA-N
XLogP6.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-N-propan-2-yloctadec-9-enamide?
The IUPAC name of (Z)-N-propan-2-yloctadec-9-enamide (CID 6436377) is (Z)-N-propan-2-yloctadec-9-enamide.
What is the SMILES notation for (Z)-N-propan-2-yloctadec-9-enamide?
The canonical SMILES for (Z)-N-propan-2-yloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC(C)C.
What is the InChIKey of (Z)-N-propan-2-yloctadec-9-enamide?
The InChIKey is FJMNGVBYKSEJNP-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3,(H,22,23)/b12-11-.
What are the key properties of (Z)-N-propan-2-yloctadec-9-enamide?
(Z)-N-propan-2-yloctadec-9-enamide has a molecular weight of 323.56 g/mol, XLogP of 6.55, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yloctadec-9-enamide is sourced from PubChem (CID 6436377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).