4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide

C18H25NO4 — CID 25015212

IUPAC4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide
SMILESCCCCCCCOc1ccc(C(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C18H25NO4/c1-2-3-4-5-6-12-22-15-9-7-14(8-10-15)17(20)19-16-11-13-23-18(16)21/h7-10,16H,2-6,11-13H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyMIQOJRRMMZMEPQ-INIZCTEOSA-N
MW319.40 g/mol
LogP3.08
Rot. Bonds9

About 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide

4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide (PubChem CID 25015212) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide
PubChem CID25015212
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide
SMILESCCCCCCCOc1ccc(C(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C18H25NO4/c1-2-3-4-5-6-12-22-15-9-7-14(8-10-15)17(20)19-16-11-13-23-18(16)21/h7-10,16H,2-6,11-13H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyMIQOJRRMMZMEPQ-INIZCTEOSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The IUPAC name of 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide (CID 25015212) is 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide.
What is the SMILES notation for 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The canonical SMILES for 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide is CCCCCCCOc1ccc(C(=O)N[C@H]2CCOC2=O)cc1.
What is the InChIKey of 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide?
The InChIKey is MIQOJRRMMZMEPQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-3-4-5-6-12-22-15-9-7-14(8-10-15)17(20)19-16-11-13-23-18(16)21/h7-10,16H,2-6,11-13H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide?
4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide has a molecular weight of 319.40 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-[(3S)-2-oxooxolan-3-yl]benzamide is sourced from PubChem (CID 25015212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).