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

C27H30N2O2 — CID 92681733

IUPAC4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
SMILESCc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C27H30N2O2/c1-19-8-10-20(11-9-19)12-17-25(30)28-23-6-5-7-24(18-23)29-26(31)21-13-15-22(16-14-21)27(2,3)4/h5-11,13-16,18H,12,17H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyLNAREAMAGBXHSA-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.12
Rot. Bonds6

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

4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide (PubChem CID 92681733) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
PubChem CID92681733
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
SMILESCc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C27H30N2O2/c1-19-8-10-20(11-9-19)12-17-25(30)28-23-6-5-7-24(18-23)29-26(31)21-13-15-22(16-14-21)27(2,3)4/h5-11,13-16,18H,12,17H2,1-4H3,(H,28,30)(H,29,31)
InChIKeyLNAREAMAGBXHSA-UHFFFAOYSA-N
XLogP6.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
3-[3-(4-tert-butylphenyl)propanoylamino]-N-cyclopropylbenzamide
CID 46698713
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
tert-butyl N-[3-[3-[3-(4-methylphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920089

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide (CID 92681733) is 4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide is Cc1ccc(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-methylphenyl)propanoylamino]phenyl]benzamide?
The InChIKey is LNAREAMAGBXHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-19-8-10-20(11-9-19)12-17-25(30)28-23-6-5-7-24(18-23)29-26(31)21-13-15-22(16-14-21)27(2,3)4/h5-11,13-16,18H,12,17H2,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide?
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 92681733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).