N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C17H25N3O3 — CID 2291523

IUPACN'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-13-5-3-6-14(2)15(13)19-17(22)16(21)18-7-4-8-20-9-11-23-12-10-20/h3,5-6H,4,7-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZGIHHQRIILGBKI-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.08
Rot. Bonds5

About N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 2291523) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID2291523
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-13-5-3-6-14(2)15(13)19-17(22)16(21)18-7-4-8-20-9-11-23-12-10-20/h3,5-6H,4,7-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyZGIHHQRIILGBKI-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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Related Compounds

N'-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 18588587
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 55746271
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 2291523) is N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is ZGIHHQRIILGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-5-3-6-14(2)15(13)19-17(22)16(21)18-7-4-8-20-9-11-23-12-10-20/h3,5-6H,4,7-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(2,6-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'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 2291523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).