N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide

C26H28N2O2 — CID 4937393

IUPACN-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H28N2O2/c1-26(2,3)21-16-14-20(15-17-21)24(29)27-23-13-9-8-12-22(23)25(30)28(4)18-19-10-6-5-7-11-19/h5-17H,18H2,1-4H3,(H,27,29)
InChIKeyYRRGPMRCFIFJAM-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.51
Rot. Bonds5

About N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide

N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide (PubChem CID 4937393) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
PubChem CID4937393
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H28N2O2/c1-26(2,3)21-16-14-20(15-17-21)24(29)27-23-13-9-8-12-22(23)25(30)28(4)18-19-10-6-5-7-11-19/h5-17H,18H2,1-4H3,(H,27,29)
InChIKeyYRRGPMRCFIFJAM-UHFFFAOYSA-N
XLogP5.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-2-(3,3-diphenylpropanoylamino)-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide (CID 4937393) is N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide?
The InChIKey is YRRGPMRCFIFJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-26(2,3)21-16-14-20(15-17-21)24(29)27-23-13-9-8-12-22(23)25(30)28(4)18-19-10-6-5-7-11-19/h5-17H,18H2,1-4H3,(H,27,29).
What are the key properties of N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide?
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 4937393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).