(Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide

C29H57NO3 — CID 138118128

IUPAC(Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide
SMILESCCCCC/C=C\CCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC
InChIInChI=1S/C29H57NO3/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-29(33)30-27(26-31)28(32)24-22-20-18-16-12-10-8-6-4-2/h11,13,27-28,31-32H,3-10,12,14-26H2,1-2H3,(H,30,33)/b13-11-
InChIKeyAHINXKQEZHIKRP-QBFSEMIESA-N
MW467.78 g/mol
LogP7.61
Rot. Bonds25

About (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide

(Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide (PubChem CID 138118128) has the molecular formula C29H57NO3 and a molecular weight of 467.78 g/mol. Its IUPAC name is (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide
PubChem CID138118128
Molecular FormulaC29H57NO3
Molecular Weight467.78 g/mol
Exact Mass467.43
IUPAC Name(Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide
SMILESCCCCC/C=C\CCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC
InChIInChI=1S/C29H57NO3/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-29(33)30-27(26-31)28(32)24-22-20-18-16-12-10-8-6-4-2/h11,13,27-28,31-32H,3-10,12,14-26H2,1-2H3,(H,30,33)/b13-11-
InChIKeyAHINXKQEZHIKRP-QBFSEMIESA-N
XLogP7.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.78
LogP ≤ 57.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide?
The IUPAC name of (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide (CID 138118128) is (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide.
What is the SMILES notation for (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide?
The canonical SMILES for (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide is CCCCC/C=C\CCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCC.
What is the InChIKey of (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide?
The InChIKey is AHINXKQEZHIKRP-QBFSEMIESA-N. The full InChI is InChI=1S/C29H57NO3/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-29(33)30-27(26-31)28(32)24-22-20-18-16-12-10-8-6-4-2/h11,13,27-28,31-32H,3-10,12,14-26H2,1-2H3,(H,30,33)/b13-11-.
What are the key properties of (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide?
(Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide has a molecular weight of 467.78 g/mol, XLogP of 7.61, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-dihydroxytetradecan-2-yl)pentadec-9-enamide is sourced from PubChem (CID 138118128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).