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

C19H23NO3 — CID 2915995

IUPAC3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-14(9-10-15-7-5-4-6-8-15)20-19(21)16-11-17(22-2)13-18(12-16)23-3/h4-8,11-14H,9-10H2,1-3H3,(H,20,21)
InChIKeyYFNSBYHZYCMCNZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.45
Rot. Bonds7

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

3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2915995) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2915995
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-14(9-10-15-7-5-4-6-8-15)20-19(21)16-11-17(22-2)13-18(12-16)23-3/h4-8,11-14H,9-10H2,1-3H3,(H,20,21)
InChIKeyYFNSBYHZYCMCNZ-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 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide (CID 2915995) is 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide is COc1cc(OC)cc(C(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is YFNSBYHZYCMCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(9-10-15-7-5-4-6-8-15)20-19(21)16-11-17(22-2)13-18(12-16)23-3/h4-8,11-14H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide?
3,5-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 3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2915995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).