N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide

C26H27N3O2 — CID 147906710

IUPACN-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NC2C=CC=CC2NC(=O)c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C26H27N3O2/c1-26(2,3)20-12-10-18(11-13-20)24(30)28-21-6-4-5-7-22(21)29-25(31)19-9-8-17-14-15-27-23(17)16-19/h4-16,21-22,27H,1-3H3,(H,28,30)(H,29,31)
InChIKeyIFIIJODALXKZKQ-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.49
Rot. Bonds4

About N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide

N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide (PubChem CID 147906710) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide
PubChem CID147906710
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NC2C=CC=CC2NC(=O)c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C26H27N3O2/c1-26(2,3)20-12-10-18(11-13-20)24(30)28-21-6-4-5-7-22(21)29-25(31)19-9-8-17-14-15-27-23(17)16-19/h4-16,21-22,27H,1-3H3,(H,28,30)(H,29,31)
InChIKeyIFIIJODALXKZKQ-UHFFFAOYSA-N
XLogP4.49
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide (CID 147906710) is N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide is CC(C)(C)c1ccc(C(=O)NC2C=CC=CC2NC(=O)c2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide?
The InChIKey is IFIIJODALXKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-26(2,3)20-12-10-18(11-13-20)24(30)28-21-6-4-5-7-22(21)29-25(31)19-9-8-17-14-15-27-23(17)16-19/h4-16,21-22,27H,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide?
N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-tert-butylbenzoyl)amino]cyclohexa-2,4-dien-1-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 147906710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).