N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide

C27H30N2O3 — CID 54781748

IUPACN-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-18-17-22(13-16-24(18)29-26(31)20-9-7-6-8-10-20)28-25(30)19(2)32-23-14-11-21(12-15-23)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)(H,29,31)
InChIKeyBATDFTPKNRSTFJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.95
Rot. Bonds6

About N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide

N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide (PubChem CID 54781748) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
PubChem CID54781748
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-18-17-22(13-16-24(18)29-26(31)20-9-7-6-8-10-20)28-25(30)19(2)32-23-14-11-21(12-15-23)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)(H,29,31)
InChIKeyBATDFTPKNRSTFJ-UHFFFAOYSA-N
XLogP5.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781731
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4051387
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 132661546

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide (CID 54781748) is N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide is Cc1cc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide?
The InChIKey is BATDFTPKNRSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18-17-22(13-16-24(18)29-26(31)20-9-7-6-8-10-20)28-25(30)19(2)32-23-14-11-21(12-15-23)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide?
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide is sourced from PubChem (CID 54781748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).