3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide

C19H23NO2 — CID 2974778

IUPAC3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide
SMILESCCOc1cccc(C(=O)NC(c2ccccc2)C(C)C)c1
InChIInChI=1S/C19H23NO2/c1-4-22-17-12-8-11-16(13-17)19(21)20-18(14(2)3)15-9-6-5-7-10-15/h5-14,18H,4H2,1-3H3,(H,20,21)
InChIKeyGFWFACOSQMMBPG-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.21
Rot. Bonds6

About 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide

3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide (PubChem CID 2974778) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide
PubChem CID2974778
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide
SMILESCCOc1cccc(C(=O)NC(c2ccccc2)C(C)C)c1
InChIInChI=1S/C19H23NO2/c1-4-22-17-12-8-11-16(13-17)19(21)20-18(14(2)3)15-9-6-5-7-10-15/h5-14,18H,4H2,1-3H3,(H,20,21)
InChIKeyGFWFACOSQMMBPG-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide (CID 2974778) is 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide is CCOc1cccc(C(=O)NC(c2ccccc2)C(C)C)c1.
What is the InChIKey of 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide?
The InChIKey is GFWFACOSQMMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-22-17-12-8-11-16(13-17)19(21)20-18(14(2)3)15-9-6-5-7-10-15/h5-14,18H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide?
3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide is sourced from PubChem (CID 2974778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).