N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

C25H29N3O2 — CID 166559351

IUPACN-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)C1COC[C@@H](N[C@H]2CCc3ccccc32)C1
InChIInChI=1S/C25H29N3O2/c1-2-28(25(29)24-13-18-8-4-6-10-22(18)27-24)20-14-19(15-30-16-20)26-23-12-11-17-7-3-5-9-21(17)23/h3-10,13,19-20,23,26-27H,2,11-12,14-16H2,1H3/t19-,20?,23-/m0/s1
InChIKeyOFZXNDHOPAWWJT-OKVILHKKSA-N
MW403.53 g/mol
LogP4.06
Rot. Bonds5

About N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide

N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 166559351) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID166559351
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)C1COC[C@@H](N[C@H]2CCc3ccccc32)C1
InChIInChI=1S/C25H29N3O2/c1-2-28(25(29)24-13-18-8-4-6-10-22(18)27-24)20-14-19(15-30-16-20)26-23-12-11-17-7-3-5-9-21(17)23/h3-10,13,19-20,23,26-27H,2,11-12,14-16H2,1H3/t19-,20?,23-/m0/s1
InChIKeyOFZXNDHOPAWWJT-OKVILHKKSA-N
XLogP4.06
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]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-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 155076790
N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 155076986
N-[(5S)-5-(benzylamino)oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171025
N-ethyl-N-[(3R,5S)-5-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-1H-benzimidazole-2-carboxamide
CID 135156814
4-[2-[[(1S,3R)-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]cyclohexyl]-ethylcarbamoyl]-1H-indol-6-yl]-N-ethyl-N-[(1S,3R)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 155076899
tert-butyl N-[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate
CID 135170778
N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171326
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-ethyl-N-[(1S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135171023
N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171020
N-ethyl-N-[(1S,3R)-3-[[4-(methyldiazenyl)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 170113162
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

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide (CID 166559351) is N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)C1COC[C@@H](N[C@H]2CCc3ccccc32)C1.
What is the InChIKey of N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is OFZXNDHOPAWWJT-OKVILHKKSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-28(25(29)24-13-18-8-4-6-10-22(18)27-24)20-14-19(15-30-16-20)26-23-12-11-17-7-3-5-9-21(17)23/h3-10,13,19-20,23,26-27H,2,11-12,14-16H2,1H3/t19-,20?,23-/m0/s1.
What are the key properties of N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166559351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).