4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

C24H31NO4 — CID 2930045

IUPAC4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1
InChIInChI=1S/C24H31NO4/c1-3-4-15-29-22-9-5-19(6-10-22)23(26)25-18-24(13-16-28-17-14-24)20-7-11-21(27-2)12-8-20/h5-12H,3-4,13-18H2,1-2H3,(H,25,26)
InChIKeyQPHGJHRJKKTTMG-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.35
Rot. Bonds9

About 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 2930045) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID2930045
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1
InChIInChI=1S/C24H31NO4/c1-3-4-15-29-22-9-5-19(6-10-22)23(26)25-18-24(13-16-28-17-14-24)20-7-11-21(27-2)12-8-20/h5-12H,3-4,13-18H2,1-2H3,(H,25,26)
InChIKeyQPHGJHRJKKTTMG-UHFFFAOYSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.35
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-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 2930045) is 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is CCCCOc1ccc(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)cc1.
What is the InChIKey of 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is QPHGJHRJKKTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-3-4-15-29-22-9-5-19(6-10-22)23(26)25-18-24(13-16-28-17-14-24)20-7-11-21(27-2)12-8-20/h5-12H,3-4,13-18H2,1-2H3,(H,25,26).
What are the key properties of 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 2930045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).