2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

C16H25NO2 — CID 51077616

IUPAC2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccccc1CNC(=O)C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-12(2)19-11-14-9-7-6-8-13(14)10-17-15(18)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,17,18)
InChIKeyCRCPZHGEYRNGQS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.27
Rot. Bonds5

About 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide

2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide (PubChem CID 51077616) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
PubChem CID51077616
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
SMILESCC(C)OCc1ccccc1CNC(=O)C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-12(2)19-11-14-9-7-6-8-13(14)10-17-15(18)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,17,18)
InChIKeyCRCPZHGEYRNGQS-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide 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 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide (CID 51077616) is 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide is CC(C)OCc1ccccc1CNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
The InChIKey is CRCPZHGEYRNGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-11-14-9-7-6-8-13(14)10-17-15(18)16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide?
2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 51077616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).