N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide

C23H30N2O3 — CID 132657650

IUPACN-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C23H30N2O3/c1-7-20(28-17-13-15(2)12-16(3)14-17)22(27)24-19-11-9-8-10-18(19)21(26)25-23(4,5)6/h8-14,20H,7H2,1-6H3,(H,24,27)(H,25,26)
InChIKeyUIUKWLCIGRAUEZ-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.63
Rot. Bonds6

About N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide

N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide (PubChem CID 132657650) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
PubChem CID132657650
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C23H30N2O3/c1-7-20(28-17-13-15(2)12-16(3)14-17)22(27)24-19-11-9-8-10-18(19)21(26)25-23(4,5)6/h8-14,20H,7H2,1-6H3,(H,24,27)(H,25,26)
InChIKeyUIUKWLCIGRAUEZ-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 92680298
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
ethyl 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 42083002
ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
2-[2-(3-methylphenoxy)butanoylamino]-N-prop-2-enylbenzamide
CID 4928581
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
N-(4-anilinophenyl)-2-[[(2R)-2-(4-methylphenoxy)butanoyl]amino]benzamide
CID 42426923
2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 46778104
N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide?
The IUPAC name of N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide (CID 132657650) is N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide?
The canonical SMILES for N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide is CCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide?
The InChIKey is UIUKWLCIGRAUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-7-20(28-17-13-15(2)12-16(3)14-17)22(27)24-19-11-9-8-10-18(19)21(26)25-23(4,5)6/h8-14,20H,7H2,1-6H3,(H,24,27)(H,25,26).
What are the key properties of N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide?
N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 132657650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).