N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide

C17H22N2O3 — CID 99792755

IUPACN-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
SMILESCCCn1cc(C(=O)NO[C@@H]2CCCCO2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-2-10-19-12-14(13-7-3-4-8-15(13)19)17(20)18-22-16-9-5-6-11-21-16/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyQLBDNLXBSFDARG-MRXNPFEDSA-N
MW302.37 g/mol
LogP3.24
Rot. Bonds5

About N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide

N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide (PubChem CID 99792755) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
PubChem CID99792755
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
SMILESCCCn1cc(C(=O)NO[C@@H]2CCCCO2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-2-10-19-12-14(13-7-3-4-8-15(13)19)17(20)18-22-16-9-5-6-11-21-16/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyQLBDNLXBSFDARG-MRXNPFEDSA-N
XLogP3.24
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-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

(1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
CID 58703275
5-ethyl-2-hydroxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 95301604
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376
N-(oxan-2-yloxy)-2-[(4-phenylphenyl)methylsulfonyl]benzamide
CID 10182459
1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
CID 94825511
1-methyl-N-(oxan-2-yloxy)pyrazole-4-carboxamide
CID 51103148
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
N-[[(5S,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-propylindole-3-carboxamide
CID 97099072
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
1-propyl-N-(2-sulfamoylethyl)indole-3-carboxamide
CID 51102367
6-methyl-N-(oxan-2-yloxy)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 51130596
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
CID 52829074

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide?
The IUPAC name of N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide (CID 99792755) is N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide.
What is the SMILES notation for N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide?
The canonical SMILES for N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide is CCCn1cc(C(=O)NO[C@@H]2CCCCO2)c2ccccc21.
What is the InChIKey of N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide?
The InChIKey is QLBDNLXBSFDARG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-10-19-12-14(13-7-3-4-8-15(13)19)17(20)18-22-16-9-5-6-11-21-16/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide?
N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide is sourced from PubChem (CID 99792755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).