N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide

C27H26N2O3 — CID 143314346

IUPACN-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide
SMILESCC(C)(CO)CC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-27(2,17-30)16-25(31)20-9-7-18(8-10-20)19-11-13-22(14-12-19)28-26(32)24-15-21-5-3-4-6-23(21)29-24/h3-15,29-30H,16-17H2,1-2H3,(H,28,32)
InChIKeyDGTBJPMKJMBHRV-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.68
Rot. Bonds7

About N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide

N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 143314346) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide
PubChem CID143314346
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide
SMILESCC(C)(CO)CC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-27(2,17-30)16-25(31)20-9-7-18(8-10-20)19-11-13-22(14-12-19)28-26(32)24-15-21-5-3-4-6-23(21)29-24/h3-15,29-30H,16-17H2,1-2H3,(H,28,32)
InChIKeyDGTBJPMKJMBHRV-UHFFFAOYSA-N
XLogP5.68
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
CID 86917311
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1H-indole-2-carboxamide
CID 167868127
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 9223899
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-indole-2-carboxamide
CID 30780430
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1H-indole-2-carboxamide
CID 127035500
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide (CID 143314346) is N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide is CC(C)(CO)CC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is DGTBJPMKJMBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-27(2,17-30)16-25(31)20-9-7-18(8-10-20)19-11-13-22(14-12-19)28-26(32)24-15-21-5-3-4-6-23(21)29-24/h3-15,29-30H,16-17H2,1-2H3,(H,28,32).
What are the key properties of N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide?
N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 143314346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).