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

C26H29N3O2 — CID 155076986

IUPACN-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1COCC(/C=N/[C@@H]2CCc3ccccc32)C1
InChIInChI=1S/C26H29N3O2/c1-2-29(26(30)25-14-20-8-4-6-10-23(20)28-25)21-13-18(16-31-17-21)15-27-24-12-11-19-7-3-5-9-22(19)24/h3-10,14-15,18,21,24,28H,2,11-13,16-17H2,1H3/b27-15+/t18?,21-,24-/m1/s1
InChIKeyMIKXEONLDFBXHG-LVPCIBLESA-N
MW415.54 g/mol
LogP4.79
Rot. Bonds5

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

N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 155076986) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID155076986
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1COCC(/C=N/[C@@H]2CCc3ccccc32)C1
InChIInChI=1S/C26H29N3O2/c1-2-29(26(30)25-14-20-8-4-6-10-23(20)28-25)21-13-18(16-31-17-21)15-27-24-12-11-19-7-3-5-9-22(19)24/h3-10,14-15,18,21,24,28H,2,11-13,16-17H2,1H3/b27-15+/t18?,21-,24-/m1/s1
InChIKeyMIKXEONLDFBXHG-LVPCIBLESA-N
XLogP4.79
TPSA57.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide (CID 155076986) is N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1COCC(/C=N/[C@@H]2CCc3ccccc32)C1.
What is the InChIKey of N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is MIKXEONLDFBXHG-LVPCIBLESA-N. The full InChI is InChI=1S/C26H29N3O2/c1-2-29(26(30)25-14-20-8-4-6-10-23(20)28-25)21-13-18(16-31-17-21)15-27-24-12-11-19-7-3-5-9-22(19)24/h3-10,14-15,18,21,24,28H,2,11-13,16-17H2,1H3/b27-15+/t18?,21-,24-/m1/s1.
What are the key properties of N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-[[(1R)-2,3-dihydro-1H-inden-1-yl]iminomethyl]oxan-3-yl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 155076986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).