3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide

C23H31NO4 — CID 2915951

IUPAC3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCCOc1cc(C(=O)NC(C)CCc2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C23H31NO4/c1-5-26-20-15-19(16-21(27-6-2)22(20)28-7-3)23(25)24-17(4)13-14-18-11-9-8-10-12-18/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,24,25)
InChIKeyQYMHJJGFZPDQFJ-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.63
Rot. Bonds11

About 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide

3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2915951) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2915951
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCCOc1cc(C(=O)NC(C)CCc2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C23H31NO4/c1-5-26-20-15-19(16-21(27-6-2)22(20)28-7-3)23(25)24-17(4)13-14-18-11-9-8-10-12-18/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,24,25)
InChIKeyQYMHJJGFZPDQFJ-UHFFFAOYSA-N
XLogP4.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide (CID 2915951) is 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide is CCOc1cc(C(=O)NC(C)CCc2ccccc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is QYMHJJGFZPDQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-5-26-20-15-19(16-21(27-6-2)22(20)28-7-3)23(25)24-17(4)13-14-18-11-9-8-10-12-18/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,24,25).
What are the key properties of 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide?
3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 385.50 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2915951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).