4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide

C27H30N2O3 — CID 100591859

IUPAC4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-27(2,3)21-13-11-20(12-14-21)26(31)29-23-7-5-6-22(18-23)28-25(30)17-10-19-8-15-24(32-4)16-9-19/h5-9,11-16,18H,10,17H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyOTSZYOLOULVMLO-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.82
Rot. Bonds7

About 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide

4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide (PubChem CID 100591859) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
PubChem CID100591859
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C27H30N2O3/c1-27(2,3)21-13-11-20(12-14-21)26(31)29-23-7-5-6-22(18-23)28-25(30)17-10-19-8-15-24(32-4)16-9-19/h5-9,11-16,18H,10,17H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyOTSZYOLOULVMLO-UHFFFAOYSA-N
XLogP5.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927930
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
4-tert-butyl-N-[3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46772125
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide (CID 100591859) is 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide is COc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide?
The InChIKey is OTSZYOLOULVMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-27(2,3)21-13-11-20(12-14-21)26(31)29-23-7-5-6-22(18-23)28-25(30)17-10-19-8-15-24(32-4)16-9-19/h5-9,11-16,18H,10,17H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide?
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.82, 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-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 100591859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).