N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide

C29H34N2O3 — CID 17234915

IUPACN-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(C(C)(C)C)c1
InChIInChI=1S/C29H34N2O3/c1-28(2,3)21-15-16-25(24(17-21)29(4,5)6)34-19-26(32)30-22-13-10-14-23(18-22)31-27(33)20-11-8-7-9-12-20/h7-18H,19H2,1-6H3,(H,30,32)(H,31,33)
InChIKeyZMPVKKVLRVUIMX-UHFFFAOYSA-N
MW458.60 g/mol
LogP6.55
Rot. Bonds6

About N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide

N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 17234915) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID17234915
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC NameN-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(C(C)(C)C)c1
InChIInChI=1S/C29H34N2O3/c1-28(2,3)21-15-16-25(24(17-21)29(4,5)6)34-19-26(32)30-22-13-10-14-23(18-22)31-27(33)20-11-8-7-9-12-20/h7-18H,19H2,1-6H3,(H,30,32)(H,31,33)
InChIKeyZMPVKKVLRVUIMX-UHFFFAOYSA-N
XLogP6.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
CID 17356505
2-(2,4-ditert-butylphenoxy)-N-(3-ethoxyphenyl)acetamide
CID 17098209
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 17356474
2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096794
N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925179
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoic acid
CID 54855870
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
4-tert-butyl-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 3894529
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide (CID 17234915) is N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide is CC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c(C(C)(C)C)c1.
What is the InChIKey of N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is ZMPVKKVLRVUIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-28(2,3)21-15-16-25(24(17-21)29(4,5)6)34-19-26(32)30-22-13-10-14-23(18-22)31-27(33)20-11-8-7-9-12-20/h7-18H,19H2,1-6H3,(H,30,32)(H,31,33).
What are the key properties of N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 458.60 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 17234915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).