N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide

C18H21NO2 — CID 897223

IUPACN-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)15-6-8-16(9-7-15)18(20)19-12-14-4-10-17(21-3)11-5-14/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyJGSYVQOBSWQAIW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.75
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide

N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide (PubChem CID 897223) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide
PubChem CID897223
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)15-6-8-16(9-7-15)18(20)19-12-14-4-10-17(21-3)11-5-14/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyJGSYVQOBSWQAIW-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide (CID 897223) is N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide is COc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide?
The InChIKey is JGSYVQOBSWQAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)15-6-8-16(9-7-15)18(20)19-12-14-4-10-17(21-3)11-5-14/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide?
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 897223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).