N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

C23H27N3O2 — CID 135171025

IUPACN-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)C1COC[C@@H](NCc2ccccc2)C1
InChIInChI=1S/C23H27N3O2/c1-2-26(23(27)22-12-18-10-6-7-11-21(18)25-22)20-13-19(15-28-16-20)24-14-17-8-4-3-5-9-17/h3-12,19-20,24-25H,2,13-16H2,1H3/t19-,20?/m0/s1
InChIKeyTWVRXRYRCAYITO-XJDOXCRVSA-N
MW377.49 g/mol
LogP3.58
Rot. Bonds6

About N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 135171025) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID135171025
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)C1COC[C@@H](NCc2ccccc2)C1
InChIInChI=1S/C23H27N3O2/c1-2-26(23(27)22-12-18-10-6-7-11-21(18)25-22)20-13-19(15-28-16-20)24-14-17-8-4-3-5-9-17/h3-12,19-20,24-25H,2,13-16H2,1H3/t19-,20?/m0/s1
InChIKeyTWVRXRYRCAYITO-XJDOXCRVSA-N
XLogP3.58
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide;N-[(3R)-3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 161347630
N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 166559351
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
N-ethyl-N-[(1S,3R)-3-(pyridin-3-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide
CID 155076755
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-ethyl-N-[(1S,3R)-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170990
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-ethyl-N-[3-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170971
N-[(1S)-3-(benzylamino)-3-sulfanylcyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 170108839
N-ethyl-N-[(1S,3R)-3-[[3-(4-ethynylbenzoyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135156924
N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171326

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide (CID 135171025) is N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)C1COC[C@@H](NCc2ccccc2)C1.
What is the InChIKey of N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is TWVRXRYRCAYITO-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-26(23(27)22-12-18-10-6-7-11-21(18)25-22)20-13-19(15-28-16-20)24-14-17-8-4-3-5-9-17/h3-12,19-20,24-25H,2,13-16H2,1H3/t19-,20?/m0/s1.
What are the key properties of N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 135171025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).