N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide

C21H23N3O5 — CID 129373779

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
SMILESCN1CCc2cc([C@@H](O)CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C21H23N3O5/c1-24-7-6-13-10-14(2-4-16(13)24)17(25)12-22-20(26)21(27)23-15-3-5-18-19(11-15)29-9-8-28-18/h2-5,10-11,17,25H,6-9,12H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1
InChIKeyUCBHZYOIKYMXBA-KRWDZBQOSA-N
MW397.43 g/mol
LogP1.24
Rot. Bonds4

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide (PubChem CID 129373779) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
PubChem CID129373779
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
SMILESCN1CCc2cc([C@@H](O)CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C21H23N3O5/c1-24-7-6-13-10-14(2-4-16(13)24)17(25)12-22-20(26)21(27)23-15-3-5-18-19(11-15)29-9-8-28-18/h2-5,10-11,17,25H,6-9,12H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1
InChIKeyUCBHZYOIKYMXBA-KRWDZBQOSA-N
XLogP1.24
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide 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'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582509
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(3-methylphenyl)oxamide
CID 90582484
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613623
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582486
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 41398300
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16813104
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]oxamide
CID 124727355
N'-cyclopentyl-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 129373749
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 51449111
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide (CID 129373779) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide is CN1CCc2cc([C@@H](O)CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
The InChIKey is UCBHZYOIKYMXBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-24-7-6-13-10-14(2-4-16(13)24)17(25)12-22-20(26)21(27)23-15-3-5-18-19(11-15)29-9-8-28-18/h2-5,10-11,17,25H,6-9,12H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1.
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide has a molecular weight of 397.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide is sourced from PubChem (CID 129373779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).