4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide

C28H32N2O3 — CID 17235025

IUPAC4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H32N2O3/c1-6-24(33-25-10-8-7-9-19(25)2)27(32)30-23-17-15-22(16-18-23)29-26(31)20-11-13-21(14-12-20)28(3,4)5/h7-18,24H,6H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyLSQDDDXNVCTGDN-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.34
Rot. Bonds7

About 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide

4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide (PubChem CID 17235025) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
PubChem CID17235025
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H32N2O3/c1-6-24(33-25-10-8-7-9-19(25)2)27(32)30-23-17-15-22(16-18-23)29-26(31)20-11-13-21(14-12-20)28(3,4)5/h7-18,24H,6H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyLSQDDDXNVCTGDN-UHFFFAOYSA-N
XLogP6.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]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

4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
4-tert-butyl-N'-[2-(2-methylphenoxy)butanoyl]benzohydrazide
CID 4932135
N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide
CID 42579514
4-tert-butyl-N-[3-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]phenyl]benzamide
CID 94027963
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 28958403
4-tert-butyl-N-[3-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17232344
N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 17235107
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601
4-tert-butyl-N-[3-(2-naphthalen-2-yloxybutanoylamino)phenyl]benzamide
CID 46770841
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877925
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide (CID 17235025) is 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide?
The InChIKey is LSQDDDXNVCTGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-6-24(33-25-10-8-7-9-19(25)2)27(32)30-23-17-15-22(16-18-23)29-26(31)20-11-13-21(14-12-20)28(3,4)5/h7-18,24H,6H2,1-5H3,(H,29,31)(H,30,32).
What are the key properties of 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide?
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide is sourced from PubChem (CID 17235025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).