2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide

C20H25NO3 — CID 2900500

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)CCc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-15(9-10-16-7-5-4-6-8-16)21-20(22)14-17-11-12-18(23-2)19(13-17)24-3/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,21,22)
InChIKeyVJFBHIJUXRHZSA-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.38
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 2900500) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID2900500
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)CCc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-15(9-10-16-7-5-4-6-8-16)21-20(22)14-17-11-12-18(23-2)19(13-17)24-3/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,21,22)
InChIKeyVJFBHIJUXRHZSA-UHFFFAOYSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide (CID 2900500) is 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide is COc1ccc(CC(=O)NC(C)CCc2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is VJFBHIJUXRHZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(9-10-16-7-5-4-6-8-16)21-20(22)14-17-11-12-18(23-2)19(13-17)24-3/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 2900500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).