N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide

C22H28N2O3 — CID 43887304

IUPACN-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-14-9-7-10-15(2)19(14)27-16(3)20(25)23-18-12-8-11-17(13-18)21(26)24-22(4,5)6/h7-13,16H,1-6H3,(H,23,25)(H,24,26)
InChIKeyAPEJMXYIMRZZPO-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.24
Rot. Bonds5

About N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide

N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide (PubChem CID 43887304) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
PubChem CID43887304
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1cccc(C)c1OC(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H28N2O3/c1-14-9-7-10-15(2)19(14)27-16(3)20(25)23-18-12-8-11-17(13-18)21(26)24-22(4,5)6/h7-13,16H,1-6H3,(H,23,25)(H,24,26)
InChIKeyAPEJMXYIMRZZPO-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[2-(2-methylphenoxy)propanoylamino]benzamide
CID 43887288
N-tert-butyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43887303
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 4958482
4-[2-(2,6-dimethylphenoxy)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43887249
(2S)-N-(3-chloro-4-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297447
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
CID 119712954
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
CID 120667141
N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
CID 43887296

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide (CID 43887304) is N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide is Cc1cccc(C)c1OC(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide?
The InChIKey is APEJMXYIMRZZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14-9-7-10-15(2)19(14)27-16(3)20(25)23-18-12-8-11-17(13-18)21(26)24-22(4,5)6/h7-13,16H,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide?
N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 43887304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).