N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide

C24H27N3O — CID 170238085

IUPACN-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@@]12CCC[C@]1(NCc1ccccc1)C2
InChIInChI=1S/C24H27N3O/c1-2-27(22(28)21-15-19-11-6-7-12-20(19)26-21)24-14-8-13-23(24,17-24)25-16-18-9-4-3-5-10-18/h3-7,9-12,15,25-26H,2,8,13-14,16-17H2,1H3/t23-,24+/m0/s1
InChIKeyXKMVFZJXYCCFJG-BJKOFHAPSA-N
MW373.50 g/mol
LogP4.49
Rot. Bonds6

About N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide

N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 170238085) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID170238085
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@@]12CCC[C@]1(NCc1ccccc1)C2
InChIInChI=1S/C24H27N3O/c1-2-27(22(28)21-15-19-11-6-7-12-20(19)26-21)24-14-8-13-23(24,17-24)25-16-18-9-4-3-5-10-18/h3-7,9-12,15,25-26H,2,8,13-14,16-17H2,1H3/t23-,24+/m0/s1
InChIKeyXKMVFZJXYCCFJG-BJKOFHAPSA-N
XLogP4.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide (CID 170238085) is N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)[C@@]12CCC[C@]1(NCc1ccccc1)C2.
What is the InChIKey of N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is XKMVFZJXYCCFJG-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-27(22(28)21-15-19-11-6-7-12-20(19)26-21)24-14-8-13-23(24,17-24)25-16-18-9-4-3-5-10-18/h3-7,9-12,15,25-26H,2,8,13-14,16-17H2,1H3/t23-,24+/m0/s1.
What are the key properties of N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide?
N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 170238085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).