N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide

C17H26N4O3 — CID 108524772

IUPACN-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H26N4O3/c1-20(2)9-5-8-18-16(22)17(23)19-14-6-3-4-7-15(14)21-10-12-24-13-11-21/h3-4,6-7H,5,8-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyLHLVSMKJYLRNFA-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.53
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide

N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108524772) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108524772
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCN(C)CCCNC(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H26N4O3/c1-20(2)9-5-8-18-16(22)17(23)19-14-6-3-4-7-15(14)21-10-12-24-13-11-21/h3-4,6-7H,5,8-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyLHLVSMKJYLRNFA-UHFFFAOYSA-N
XLogP0.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.53
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

2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108506578
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109366826
N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517876
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
N',N'-bis(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527466
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide (CID 108524772) is N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide is CN(C)CCCNC(=O)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is LHLVSMKJYLRNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20(2)9-5-8-18-16(22)17(23)19-14-6-3-4-7-15(14)21-10-12-24-13-11-21/h3-4,6-7H,5,8-13H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 334.42 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108524772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).