2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide

C24H33N3O2 — CID 167842374

IUPAC2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide
SMILESCC1(C(=O)NCC2CCCN2C(=O)C2CC3(CCCC3)C2)Cc2ccccc2N1
InChIInChI=1S/C24H33N3O2/c1-23(13-17-7-2-3-9-20(17)26-23)22(29)25-16-19-8-6-12-27(19)21(28)18-14-24(15-18)10-4-5-11-24/h2-3,7,9,18-19,26H,4-6,8,10-16H2,1H3,(H,25,29)
InChIKeyMTNJFMJHPDCQFA-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.49
Rot. Bonds4

About 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide

2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide (PubChem CID 167842374) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide
PubChem CID167842374
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide
SMILESCC1(C(=O)NCC2CCCN2C(=O)C2CC3(CCCC3)C2)Cc2ccccc2N1
InChIInChI=1S/C24H33N3O2/c1-23(13-17-7-2-3-9-20(17)26-23)22(29)25-16-19-8-6-12-27(19)21(28)18-14-24(15-18)10-4-5-11-24/h2-3,7,9,18-19,26H,4-6,8,10-16H2,1H3,(H,25,29)
InChIKeyMTNJFMJHPDCQFA-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide with MolForge

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Related Compounds

2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127304
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
CID 100615038
2-(cyanomethyl)-N-[[1-(2,2-dimethyloxane-4-carbonyl)pyrrolidin-2-yl]methyl]benzamide
CID 167840807
3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579007
2-fluoro-4-methoxy-N-[[(2R)-1-(2-thiaspiro[3.3]heptane-6-carbonyl)pyrrolidin-2-yl]methyl]benzamide
CID 167794962
3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579006
2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 76895259
[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 102602951
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide?
The IUPAC name of 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide (CID 167842374) is 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide?
The canonical SMILES for 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide is CC1(C(=O)NCC2CCCN2C(=O)C2CC3(CCCC3)C2)Cc2ccccc2N1.
What is the InChIKey of 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide?
The InChIKey is MTNJFMJHPDCQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-23(13-17-7-2-3-9-20(17)26-23)22(29)25-16-19-8-6-12-27(19)21(28)18-14-24(15-18)10-4-5-11-24/h2-3,7,9,18-19,26H,4-6,8,10-16H2,1H3,(H,25,29).
What are the key properties of 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide?
2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(spiro[3.4]octane-2-carbonyl)pyrrolidin-2-yl]methyl]-1,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 167842374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).