N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide

C26H26N2O2 — CID 102180680

IUPACN-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide
SMILESCC(C)(C)N1C(=O)C(N(Cc2ccccc2)C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-26(2,3)28-22-17-11-10-16-21(22)23(25(28)30)27(18-19-12-6-4-7-13-19)24(29)20-14-8-5-9-15-20/h4-17,23H,18H2,1-3H3
InChIKeyYCJZLXQFBNMPJM-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.22
Rot. Bonds4

About N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide

N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide (PubChem CID 102180680) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide
PubChem CID102180680
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide
SMILESCC(C)(C)N1C(=O)C(N(Cc2ccccc2)C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-26(2,3)28-22-17-11-10-16-21(22)23(25(28)30)27(18-19-12-6-4-7-13-19)24(29)20-14-8-5-9-15-20/h4-17,23H,18H2,1-3H3
InChIKeyYCJZLXQFBNMPJM-UHFFFAOYSA-N
XLogP5.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide?
The IUPAC name of N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide (CID 102180680) is N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide.
What is the SMILES notation for N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide?
The canonical SMILES for N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide is CC(C)(C)N1C(=O)C(N(Cc2ccccc2)C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide?
The InChIKey is YCJZLXQFBNMPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-26(2,3)28-22-17-11-10-16-21(22)23(25(28)30)27(18-19-12-6-4-7-13-19)24(29)20-14-8-5-9-15-20/h4-17,23H,18H2,1-3H3.
What are the key properties of N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide?
N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide has a molecular weight of 398.51 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)benzamide is sourced from PubChem (CID 102180680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).