4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide

C27H27N3O2 — CID 31974149

IUPAC4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H27N3O2/c1-27(2,3)20-14-12-18(13-15-20)26(32)30-24-11-7-6-10-23(24)29-25(31)16-19-17-28-22-9-5-4-8-21(19)22/h4-15,17,28H,16H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyNHPDPXPXJKQLIZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.90
Rot. Bonds5

About 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide

4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide (PubChem CID 31974149) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide
PubChem CID31974149
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H27N3O2/c1-27(2,3)20-14-12-18(13-15-20)26(32)30-24-11-7-6-10-23(24)29-25(31)16-19-17-28-22-9-5-4-8-21(19)22/h4-15,17,28H,16H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyNHPDPXPXJKQLIZ-UHFFFAOYSA-N
XLogP5.90
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960280
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
2-(1H-indol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101093
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
CID 58790355
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide (CID 31974149) is 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is NHPDPXPXJKQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-27(2,3)20-14-12-18(13-15-20)26(32)30-24-11-7-6-10-23(24)29-25(31)16-19-17-28-22-9-5-4-8-21(19)22/h4-15,17,28H,16H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide?
4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 5.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 31974149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).