3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C24H28N4O4 — CID 166191316

IUPAC3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC2CC(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C24H28N4O4/c1-11-19-15(5-3-7-17(19)29)27-21(11)23(31)25-13-9-14(10-13)26-24(32)22-12(2)20-16(28-22)6-4-8-18(20)30/h13-14,27-28H,3-10H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyIHGTZJTWIYHOBS-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.69
Rot. Bonds4

About 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 166191316) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID166191316
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NC2CC(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C24H28N4O4/c1-11-19-15(5-3-7-17(19)29)27-21(11)23(31)25-13-9-14(10-13)26-24(32)22-12(2)20-16(28-22)6-4-8-18(20)30/h13-14,27-28H,3-10H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyIHGTZJTWIYHOBS-UHFFFAOYSA-N
XLogP2.69
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 166191316) is 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NC2CC(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)C2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is IHGTZJTWIYHOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-11-19-15(5-3-7-17(19)29)27-21(11)23(31)25-13-9-14(10-13)26-24(32)22-12(2)20-16(28-22)6-4-8-18(20)30/h13-14,27-28H,3-10H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]cyclobutyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 166191316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).