N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

C25H28N4O5 — CID 27567907

IUPACN'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C25H28N4O5/c30-24(26-8-7-18-14-27-20-4-2-1-3-19(18)20)25(31)28-15-21(29-9-11-32-12-10-29)17-5-6-22-23(13-17)34-16-33-22/h1-6,13-14,21,27H,7-12,15-16H2,(H,26,30)(H,28,31)/t21-/m0/s1
InChIKeyDKOWFFYIJABPAL-NRFANRHFSA-N
MW464.52 g/mol
LogP1.75
Rot. Bonds7

About N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 27567907) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID27567907
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC NameN'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C25H28N4O5/c30-24(26-8-7-18-14-27-20-4-2-1-3-19(18)20)25(31)28-15-21(29-9-11-32-12-10-29)17-5-6-22-23(13-17)34-16-33-22/h1-6,13-14,21,27H,7-12,15-16H2,(H,26,30)(H,28,31)/t21-/m0/s1
InChIKeyDKOWFFYIJABPAL-NRFANRHFSA-N
XLogP1.75
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-(3-phenylpropyl)oxamide
CID 27558089
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 29095166
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-phenyloxamide
CID 7285765
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 29095184
phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate
CID 18574642
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110997385
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-(2-cyanophenyl)oxamide
CID 92693410
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-cyclohexyloxamide
CID 30673479
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7285809
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-(3-chlorophenyl)oxamide
CID 29095125
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-fluorobenzamide
CID 7285686

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 27567907) is N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is DKOWFFYIJABPAL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H28N4O5/c30-24(26-8-7-18-14-27-20-4-2-1-3-19(18)20)25(31)28-15-21(29-9-11-32-12-10-29)17-5-6-22-23(13-17)34-16-33-22/h1-6,13-14,21,27H,7-12,15-16H2,(H,26,30)(H,28,31)/t21-/m0/s1.
What are the key properties of N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 464.52 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 27567907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).