2-phenoxy-N,N-di(propan-2-yl)acetamide

C14H21NO2 — CID 3535984

IUPAC2-phenoxy-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)COc1ccccc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)10-17-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyINXCRNYTWBFMBN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.71
Rot. Bonds5

About 2-phenoxy-N,N-di(propan-2-yl)acetamide

2-phenoxy-N,N-di(propan-2-yl)acetamide (PubChem CID 3535984) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-phenoxy-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N,N-di(propan-2-yl)acetamide
PubChem CID3535984
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-phenoxy-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)COc1ccccc1)C(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)10-17-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyINXCRNYTWBFMBN-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenoxy-N,N-di(propan-2-yl)acetamide 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-phenoxy-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-phenoxy-N,N-di(propan-2-yl)acetamide (CID 3535984) is 2-phenoxy-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-phenoxy-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)COc1ccccc1)C(C)C.
What is the InChIKey of 2-phenoxy-N,N-di(propan-2-yl)acetamide?
The InChIKey is INXCRNYTWBFMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)15(12(3)4)14(16)10-17-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 2-phenoxy-N,N-di(propan-2-yl)acetamide?
2-phenoxy-N,N-di(propan-2-yl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 3535984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).