4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide

C24H28N2O3 — CID 110618671

IUPAC4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide
SMILESCC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)cc1
InChIInChI=1S/C24H28N2O3/c1-23(2,3)16-8-6-15(7-9-16)20(27)12-13-21(28)25-17-10-11-19-18(14-17)24(4,5)22(29)26-19/h6-11,14H,12-13H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyCSEXIVPOZYGOLW-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.82
Rot. Bonds5

About 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide

4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide (PubChem CID 110618671) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide
PubChem CID110618671
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide
SMILESCC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)cc1
InChIInChI=1S/C24H28N2O3/c1-23(2,3)16-8-6-15(7-9-16)20(27)12-13-21(28)25-17-10-11-19-18(14-17)24(4,5)22(29)26-19/h6-11,14H,12-13H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyCSEXIVPOZYGOLW-UHFFFAOYSA-N
XLogP4.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide
CID 110405726
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
CID 110405697
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide
CID 126421691
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110612894
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 110405753
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
5-(2-bromoacetyl)-3,3-dimethyl-1H-indol-2-one
CID 10684264
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-ethyl-3-hydroxy-1H-indol-2-one
CID 9350127
5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one
CID 168596347

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide (CID 110618671) is 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide is CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide?
The InChIKey is CSEXIVPOZYGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-23(2,3)16-8-6-15(7-9-16)20(27)12-13-21(28)25-17-10-11-19-18(14-17)24(4,5)22(29)26-19/h6-11,14H,12-13H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide?
4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide has a molecular weight of 392.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide is sourced from PubChem (CID 110618671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).