2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide

C19H23NO3 — CID 3733052

IUPAC2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(12-13-15-8-5-4-6-9-15)20-19(21)18-16(22-2)10-7-11-17(18)23-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyUNDRFPOLOSMNHK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.45
Rot. Bonds7

About 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide

2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 3733052) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
PubChem CID3733052
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(12-13-15-8-5-4-6-9-15)20-19(21)18-16(22-2)10-7-11-17(18)23-3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyUNDRFPOLOSMNHK-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide (CID 3733052) is 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide is COc1cccc(OC)c1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is UNDRFPOLOSMNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(12-13-15-8-5-4-6-9-15)20-19(21)18-16(22-2)10-7-11-17(18)23-3/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide?
2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 3733052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).