3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H23N3O2 — CID 119736207

IUPAC3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H23N3O2/c1-9(10-4-5-14-13(6-10)8-15(22)21-14)20-18(23)16-11-2-3-12(7-11)17(16)19/h4-6,9,11-12,16-17H,2-3,7-8,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyRGNMSZGFGMTVPX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.73
Rot. Bonds3

About 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119736207) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119736207
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H23N3O2/c1-9(10-4-5-14-13(6-10)8-15(22)21-14)20-18(23)16-11-2-3-12(7-11)17(16)19/h4-6,9,11-12,16-17H,2-3,7-8,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyRGNMSZGFGMTVPX-UHFFFAOYSA-N
XLogP1.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729792
3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736208
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
(3S)-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]morpholine-3-carboxamide
CID 129414950
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 119729790
3-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119706887
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119686309
2-amino-2-(4-methylphenyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 120667587
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686308
(3R)-1-cyclopentyl-5-oxo-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 94094470
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119736207) is 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(NC(=O)C1C2CCC(C2)C1N)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RGNMSZGFGMTVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-9(10-4-5-14-13(6-10)8-15(22)21-14)20-18(23)16-11-2-3-12(7-11)17(16)19/h4-6,9,11-12,16-17H,2-3,7-8,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119736207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).