N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide

C19H29N3O4 — CID 108506578

IUPACN-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCCCCOCCCNC(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-2-3-12-25-13-6-9-20-18(23)19(24)21-16-7-4-5-8-17(16)22-10-14-26-15-11-22/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyWEKNOXBWFWNYDT-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.78
Rot. Bonds9

About N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide

N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108506578) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108506578
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC NameN-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCCCCOCCCNC(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-2-3-12-25-13-6-9-20-18(23)19(24)21-16-7-4-5-8-17(16)22-10-14-26-15-11-22/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyWEKNOXBWFWNYDT-UHFFFAOYSA-N
XLogP1.78
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.78
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-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 645222
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056323
N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517876
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
ethyl 4-[[2-(2-morpholin-4-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108500117
N',N'-bis(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527466
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112973391

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide (CID 108506578) is N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide is CCCCOCCCNC(=O)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is WEKNOXBWFWNYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-2-3-12-25-13-6-9-20-18(23)19(24)21-16-7-4-5-8-17(16)22-10-14-26-15-11-22/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 363.46 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108506578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).