(Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide

C20H35NO3 — CID 71684635

IUPAC(Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide
SMILESCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,18H,2-6,9-17H2,1H3,(H,21,22)/b8-7-/t18-/m0/s1
InChIKeyBDQHAQLGRDSHKW-ZEVQVBBLSA-N
MW337.50 g/mol
LogP4.68
Rot. Bonds14

About (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide

(Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide (PubChem CID 71684635) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide
PubChem CID71684635
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name(Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide
SMILESCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,18H,2-6,9-17H2,1H3,(H,21,22)/b8-7-/t18-/m0/s1
InChIKeyBDQHAQLGRDSHKW-ZEVQVBBLSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
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-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide?
The IUPAC name of (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide (CID 71684635) is (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide.
What is the SMILES notation for (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide?
The canonical SMILES for (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide is CCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide?
The InChIKey is BDQHAQLGRDSHKW-ZEVQVBBLSA-N. The full InChI is InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,18H,2-6,9-17H2,1H3,(H,21,22)/b8-7-/t18-/m0/s1.
What are the key properties of (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide?
(Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide has a molecular weight of 337.50 g/mol, XLogP of 4.68, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide is sourced from PubChem (CID 71684635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).