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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cvt-2738
CID 2608606
(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide
CID 9949648
4-Morpholineacetamide, N-phenyl-
CID 201328
N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 551256
N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
N-(2,4-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 1912438
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
N-(3,5-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 3157325
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(cyanomethyl)-4-methyl-2-{3-[3-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 10992823

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).