N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide

C19H26N4O4 — CID 51608498

IUPACN'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCN1C(=O)[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C19H26N4O4/c1-2-23-15-7-4-3-6-14(15)16(19(23)26)21-18(25)17(24)20-8-5-9-22-10-12-27-13-11-22/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,24)(H,21,25)/t16-/m0/s1
InChIKeyBZGKPUPFLICBFD-INIZCTEOSA-N
MW374.44 g/mol
LogP0.05
Rot. Bonds6

About N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 51608498) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID51608498
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCN1C(=O)[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C19H26N4O4/c1-2-23-15-7-4-3-6-14(15)16(19(23)26)21-18(25)17(24)20-8-5-9-22-10-12-27-13-11-22/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,24)(H,21,25)/t16-/m0/s1
InChIKeyBZGKPUPFLICBFD-INIZCTEOSA-N
XLogP0.05
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 98231836
N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(2-methoxyethyl)oxamide
CID 41024850
N-[3-(diethylamino)propyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40947557
N-[3-(diethylamino)propyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 29075014
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
N-(3-morpholin-4-ylpropyl)-2-phenylpent-2-enamide
CID 140983170
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108518536
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 51608498) is N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide is CCN1C(=O)[C@@H](NC(=O)C(=O)NCCCN2CCOCC2)c2ccccc21.
What is the InChIKey of N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is BZGKPUPFLICBFD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-2-23-15-7-4-3-6-14(15)16(19(23)26)21-18(25)17(24)20-8-5-9-22-10-12-27-13-11-22/h3-4,6-7,16H,2,5,8-13H2,1H3,(H,20,24)(H,21,25)/t16-/m0/s1.
What are the key properties of N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 374.44 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 51608498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).