N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione

C160H220N16O8 — CID 159881224

IUPACN-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione
SMILESCC(C)(C)N1C(=O)NC2(CCCCC2)C1=O.CC(C)(C)NC(=O)c1ccccc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)n1c(=O)[nH]c2ccccc2c1=O.CC(C)(C)n1cccn1.Cc1[nH]c2cccc(C)c2c1C(C)(C)C.Cc1ccc(C)c2c1NC(=O)C2C(C)(C)C.Cc1ccc2c(c1)c(C(C)(C)C)cn2C.Cc1cccc2c1C(C(C)(C)C)C(C)N2.Cc1cccc2c1C(C(C)(C)C)CN2.Cc1cccc2cnn(C(C)(C)C)c12.Cc1cn(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H19NO.C14H19N.C14H21N.C14H19N.2C14H16.C13H19N.C12H20N2O2.C12H14N2O2.C12H16N2.C11H15NO.C9H14N2O2.C7H12N2/c1-8-6-7-9(2)12-10(8)11(13(16)15-12)14(3,4)5;1-10-6-7-13-11(8-10)12(9-15(13)5)14(2,3)4;2*1-9-7-6-8-11-12(9)13(10(2)15-11)14(3,4)5;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-9-6-5-7-11-12(9)10(8-14-11)13(2,3)4;1-11(2,3)14-9(15)12(13-10(14)16)7-5-4-6-8-12;1-12(2,3)14-10(15)8-6-4-5-7-9(8)13-11(14)16;1-9-6-5-7-10-8-13-14(11(9)10)12(2,3)4;1-11(2,3)12-10(13)9-7-5-4-6-8-9;1-6-5-11(9(2,3)4)8(13)10-7(6)12;1-7(2,3)9-6-4-5-8-9/h6-7,11H,1-5H3,(H,15,16);6-9H,1-5H3;6-8,10,13,15H,1-5H3;6-8,15H,1-5H3;2*4-10H,1-3H3;5-7,10,14H,8H2,1-4H3;4-8H2,1-3H3,(H,13,16);4-7H,1-3H3,(H,13,16);5-8H,1-4H3;4-8H,1-3H3,(H,12,13);5H,1-4H3,(H,10,12,13);4-6H,1-3H3
InChIKeyNTNXDNWGBARQBH-UHFFFAOYSA-N
MW2495.62 g/mol
LogP38.05
Rot. Bonds1

About N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione

N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione (PubChem CID 159881224) has the molecular formula C160H220N16O8 and a molecular weight of 2495.62 g/mol. Its IUPAC name is N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound NameN-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione
PubChem CID159881224
Molecular FormulaC160H220N16O8
Molecular Weight2495.62 g/mol
Exact Mass2493.73
IUPAC NameN-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione
SMILESCC(C)(C)N1C(=O)NC2(CCCCC2)C1=O.CC(C)(C)NC(=O)c1ccccc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)n1c(=O)[nH]c2ccccc2c1=O.CC(C)(C)n1cccn1.Cc1[nH]c2cccc(C)c2c1C(C)(C)C.Cc1ccc(C)c2c1NC(=O)C2C(C)(C)C.Cc1ccc2c(c1)c(C(C)(C)C)cn2C.Cc1cccc2c1C(C(C)(C)C)C(C)N2.Cc1cccc2c1C(C(C)(C)C)CN2.Cc1cccc2cnn(C(C)(C)C)c12.Cc1cn(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H19NO.C14H19N.C14H21N.C14H19N.2C14H16.C13H19N.C12H20N2O2.C12H14N2O2.C12H16N2.C11H15NO.C9H14N2O2.C7H12N2/c1-8-6-7-9(2)12-10(8)11(13(16)15-12)14(3,4)5;1-10-6-7-13-11(8-10)12(9-15(13)5)14(2,3)4;2*1-9-7-6-8-11-12(9)13(10(2)15-11)14(3,4)5;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-9-6-5-7-11-12(9)10(8-14-11)13(2,3)4;1-11(2,3)14-9(15)12(13-10(14)16)7-5-4-6-8-12;1-12(2,3)14-10(15)8-6-4-5-7-9(8)13-11(14)16;1-9-6-5-7-10-8-13-14(11(9)10)12(2,3)4;1-11(2,3)12-10(13)9-7-5-4-6-8-9;1-6-5-11(9(2,3)4)8(13)10-7(6)12;1-7(2,3)9-6-4-5-8-9/h6-7,11H,1-5H3,(H,15,16);6-9H,1-5H3;6-8,10,13,15H,1-5H3;6-8,15H,1-5H3;2*4-10H,1-3H3;5-7,10,14H,8H2,1-4H3;4-8H2,1-3H3,(H,13,16);4-7H,1-3H3,(H,13,16);5-8H,1-4H3;4-8H,1-3H3,(H,12,13);5H,1-4H3,(H,10,12,13);4-6H,1-3H3
InChIKeyNTNXDNWGBARQBH-UHFFFAOYSA-N
XLogP38.05
TPSA297.75 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds1
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002495.62
LogP ≤ 538.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione?
The IUPAC name of N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione (CID 159881224) is N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione?
The canonical SMILES for N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione is CC(C)(C)N1C(=O)NC2(CCCCC2)C1=O.CC(C)(C)NC(=O)c1ccccc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)n1c(=O)[nH]c2ccccc2c1=O.CC(C)(C)n1cccn1.Cc1[nH]c2cccc(C)c2c1C(C)(C)C.Cc1ccc(C)c2c1NC(=O)C2C(C)(C)C.Cc1ccc2c(c1)c(C(C)(C)C)cn2C.Cc1cccc2c1C(C(C)(C)C)C(C)N2.Cc1cccc2c1C(C(C)(C)C)CN2.Cc1cccc2cnn(C(C)(C)C)c12.Cc1cn(C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione?
The InChIKey is NTNXDNWGBARQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C14H19N.C14H21N.C14H19N.2C14H16.C13H19N.C12H20N2O2.C12H14N2O2.C12H16N2.C11H15NO.C9H14N2O2.C7H12N2/c1-8-6-7-9(2)12-10(8)11(13(16)15-12)14(3,4)5;1-10-6-7-13-11(8-10)12(9-15(13)5)14(2,3)4;2*1-9-7-6-8-11-12(9)13(10(2)15-11)14(3,4)5;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-9-6-5-7-11-12(9)10(8-14-11)13(2,3)4;1-11(2,3)14-9(15)12(13-10(14)16)7-5-4-6-8-12;1-12(2,3)14-10(15)8-6-4-5-7-9(8)13-11(14)16;1-9-6-5-7-10-8-13-14(11(9)10)12(2,3)4;1-11(2,3)12-10(13)9-7-5-4-6-8-9;1-6-5-11(9(2,3)4)8(13)10-7(6)12;1-7(2,3)9-6-4-5-8-9/h6-7,11H,1-5H3,(H,15,16);6-9H,1-5H3;6-8,10,13,15H,1-5H3;6-8,15H,1-5H3;2*4-10H,1-3H3;5-7,10,14H,8H2,1-4H3;4-8H2,1-3H3,(H,13,16);4-7H,1-3H3,(H,13,16);5-8H,1-4H3;4-8H,1-3H3,(H,12,13);5H,1-4H3,(H,10,12,13);4-6H,1-3H3.
What are the key properties of N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione?
N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione has a molecular weight of 2495.62 g/mol, XLogP of 38.05, 1 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbenzamide;3-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;3-tert-butyl-2,4-dimethyl-2,3-dihydro-1H-indole;3-tert-butyl-4,7-dimethyl-1,3-dihydroindol-2-one;3-tert-butyl-1,5-dimethylindole;3-tert-butyl-2,4-dimethyl-1H-indole;3-tert-butyl-4-methyl-2,3-dihydro-1H-indole;1-tert-butyl-7-methylindazole;1-tert-butyl-5-methylpyrimidine-2,4-dione;1-tert-butylnaphthalene;2-tert-butylnaphthalene;1-tert-butylpyrazole;3-tert-butyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 159881224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).