N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide

C17H22N4O3 — CID 39032833

IUPACN'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H22N4O3/c22-16(19-5-1-7-21-8-10-24-11-9-21)17(23)20-14-3-2-13-4-6-18-15(13)12-14/h2-4,6,12,18H,1,5,7-11H2,(H,19,22)(H,20,23)
InChIKeyWMZNMGXRDNVSSR-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.94
Rot. Bonds5

About N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 39032833) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID39032833
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C17H22N4O3/c22-16(19-5-1-7-21-8-10-24-11-9-21)17(23)20-14-3-2-13-4-6-18-15(13)12-14/h2-4,6,12,18H,1,5,7-11H2,(H,19,22)(H,20,23)
InChIKeyWMZNMGXRDNVSSR-UHFFFAOYSA-N
XLogP0.94
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea
CID 108885871
1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 8615388
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
N'-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]oxamide
CID 167820457
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 39032833) is N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is WMZNMGXRDNVSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-16(19-5-1-7-21-8-10-24-11-9-21)17(23)20-14-3-2-13-4-6-18-15(13)12-14/h2-4,6,12,18H,1,5,7-11H2,(H,19,22)(H,20,23).
What are the key properties of N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 330.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-6-yl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 39032833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).