N-tert-butyl-3-phenoxybenzamide

C17H19NO2 — CID 2669504

IUPACN-tert-butyl-3-phenoxybenzamide
SMILESCC(C)(C)NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-17(2,3)18-16(19)13-8-7-11-15(12-13)20-14-9-5-4-6-10-14/h4-12H,1-3H3,(H,18,19)
InChIKeyNVPQPQCGSQCBKH-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.01
Rot. Bonds3

About N-tert-butyl-3-phenoxybenzamide

N-tert-butyl-3-phenoxybenzamide (PubChem CID 2669504) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-tert-butyl-3-phenoxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-3-phenoxybenzamide
PubChem CID2669504
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-tert-butyl-3-phenoxybenzamide
SMILESCC(C)(C)NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-17(2,3)18-16(19)13-8-7-11-15(12-13)20-14-9-5-4-6-10-14/h4-12H,1-3H3,(H,18,19)
InChIKeyNVPQPQCGSQCBKH-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-phenoxybenzamide 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-tert-butyl-3-phenoxybenzamide?
The IUPAC name of N-tert-butyl-3-phenoxybenzamide (CID 2669504) is N-tert-butyl-3-phenoxybenzamide.
What is the SMILES notation for N-tert-butyl-3-phenoxybenzamide?
The canonical SMILES for N-tert-butyl-3-phenoxybenzamide is CC(C)(C)NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-tert-butyl-3-phenoxybenzamide?
The InChIKey is NVPQPQCGSQCBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,3)18-16(19)13-8-7-11-15(12-13)20-14-9-5-4-6-10-14/h4-12H,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-3-phenoxybenzamide?
N-tert-butyl-3-phenoxybenzamide has a molecular weight of 269.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-phenoxybenzamide is sourced from PubChem (CID 2669504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).