N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C19H29N3O3 — CID 5223166

IUPACN'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-2-3-5-16-6-8-17(9-7-16)21-19(24)18(23)20-10-4-11-22-12-14-25-15-13-22/h6-9H,2-5,10-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyQJNZHMQMBOGBGK-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.81
Rot. Bonds8

About N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 5223166) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID5223166
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-2-3-5-16-6-8-17(9-7-16)21-19(24)18(23)20-10-4-11-22-12-14-25-15-13-22/h6-9H,2-5,10-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyQJNZHMQMBOGBGK-UHFFFAOYSA-N
XLogP1.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
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

1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
N,N-diethyl-4-(3-morpholin-4-ylpropylcarbamothioylamino)benzamide
CID 4968567
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 55347238
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 5223166) is N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is CCCCc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is QJNZHMQMBOGBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-3-5-16-6-8-17(9-7-16)21-19(24)18(23)20-10-4-11-22-12-14-25-15-13-22/h6-9H,2-5,10-15H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 347.46 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 5223166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).