N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C17H25N3O3 — CID 2258010

IUPACN'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c1-13-10-14(2)12-15(11-13)19-17(22)16(21)18-4-3-5-20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLMWIRTLSASNTCT-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.08
Rot. Bonds5

About N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 2258010) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID2258010
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c1-13-10-14(2)12-15(11-13)19-17(22)16(21)18-4-3-5-20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLMWIRTLSASNTCT-UHFFFAOYSA-N
XLogP1.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 2258010) is N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is LMWIRTLSASNTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-10-14(2)12-15(11-13)19-17(22)16(21)18-4-3-5-20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 319.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 2258010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).