N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide

C18H21N5O2 — CID 112532276

IUPACN-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCC1Cc2ccccc2N1C(=O)Cn1cc(NC(=O)C2CCC2)nn1
InChIInChI=1S/C18H21N5O2/c1-12-9-14-5-2-3-8-15(14)23(12)17(24)11-22-10-16(20-21-22)19-18(25)13-6-4-7-13/h2-3,5,8,10,12-13H,4,6-7,9,11H2,1H3,(H,19,25)
InChIKeyFIPPYHYZNUCSGG-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.99
Rot. Bonds4

About N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide

N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide (PubChem CID 112532276) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
PubChem CID112532276
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCC1Cc2ccccc2N1C(=O)Cn1cc(NC(=O)C2CCC2)nn1
InChIInChI=1S/C18H21N5O2/c1-12-9-14-5-2-3-8-15(14)23(12)17(24)11-22-10-16(20-21-22)19-18(25)13-6-4-7-13/h2-3,5,8,10,12-13H,4,6-7,9,11H2,1H3,(H,19,25)
InChIKeyFIPPYHYZNUCSGG-UHFFFAOYSA-N
XLogP1.99
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 51188925
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112532191
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112532196
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1-carboxamide
CID 109151153

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide (CID 112532276) is N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide is CC1Cc2ccccc2N1C(=O)Cn1cc(NC(=O)C2CCC2)nn1.
What is the InChIKey of N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The InChIKey is FIPPYHYZNUCSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-9-14-5-2-3-8-15(14)23(12)17(24)11-22-10-16(20-21-22)19-18(25)13-6-4-7-13/h2-3,5,8,10,12-13H,4,6-7,9,11H2,1H3,(H,19,25).
What are the key properties of N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 112532276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).