(Z)-N-propan-2-yldocos-13-enamide

C25H49NO — CID 53321376

IUPAC(Z)-N-propan-2-yldocos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C25H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(27)26-24(2)3/h11-12,24H,4-10,13-23H2,1-3H3,(H,26,27)/b12-11-
InChIKeyKAIAWPDNLFZKBM-QXMHVHEDSA-N
MW379.67 g/mol
LogP8.11
Rot. Bonds20

About (Z)-N-propan-2-yldocos-13-enamide

(Z)-N-propan-2-yldocos-13-enamide (PubChem CID 53321376) has the molecular formula C25H49NO and a molecular weight of 379.67 g/mol. Its IUPAC name is (Z)-N-propan-2-yldocos-13-enamide.

Molecular Properties

Compound Name(Z)-N-propan-2-yldocos-13-enamide
PubChem CID53321376
Molecular FormulaC25H49NO
Molecular Weight379.67 g/mol
Exact Mass379.38
IUPAC Name(Z)-N-propan-2-yldocos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C25H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(27)26-24(2)3/h11-12,24H,4-10,13-23H2,1-3H3,(H,26,27)/b12-11-
InChIKeyKAIAWPDNLFZKBM-QXMHVHEDSA-N
XLogP8.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 58.11
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-yldocos-13-enamide?
The IUPAC name of (Z)-N-propan-2-yldocos-13-enamide (CID 53321376) is (Z)-N-propan-2-yldocos-13-enamide.
What is the SMILES notation for (Z)-N-propan-2-yldocos-13-enamide?
The canonical SMILES for (Z)-N-propan-2-yldocos-13-enamide is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(C)C.
What is the InChIKey of (Z)-N-propan-2-yldocos-13-enamide?
The InChIKey is KAIAWPDNLFZKBM-QXMHVHEDSA-N. The full InChI is InChI=1S/C25H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(27)26-24(2)3/h11-12,24H,4-10,13-23H2,1-3H3,(H,26,27)/b12-11-.
What are the key properties of (Z)-N-propan-2-yldocos-13-enamide?
(Z)-N-propan-2-yldocos-13-enamide has a molecular weight of 379.67 g/mol, XLogP of 8.11, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yldocos-13-enamide is sourced from PubChem (CID 53321376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).