N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide

C23H24N6O2 — CID 646656

IUPACN-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide
SMILESCC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCC2)n1
InChIInChI=1S/C23H24N6O2/c1-15-13-17-7-2-5-12-20(17)29(15)21(30)14-28-26-22(25-27-28)18-10-3-4-11-19(18)24-23(31)16-8-6-9-16/h2-5,7,10-12,15-16H,6,8-9,13-14H2,1H3,(H,24,31)
InChIKeyITWRZPDCODOWNV-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.06
Rot. Bonds5

About N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide

N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide (PubChem CID 646656) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide
PubChem CID646656
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide
SMILESCC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCC2)n1
InChIInChI=1S/C23H24N6O2/c1-15-13-17-7-2-5-12-20(17)29(15)21(30)14-28-26-22(25-27-28)18-10-3-4-11-19(18)24-23(31)16-8-6-9-16/h2-5,7,10-12,15-16H,6,8-9,13-14H2,1H3,(H,24,31)
InChIKeyITWRZPDCODOWNV-UHFFFAOYSA-N
XLogP3.06
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide (CID 646656) is N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide is CC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCC2)n1.
What is the InChIKey of N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is ITWRZPDCODOWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-13-17-7-2-5-12-20(17)29(15)21(30)14-28-26-22(25-27-28)18-10-3-4-11-19(18)24-23(31)16-8-6-9-16/h2-5,7,10-12,15-16H,6,8-9,13-14H2,1H3,(H,24,31).
What are the key properties of N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 646656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).