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

C16H23N3O3 — CID 3147422

IUPACN'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H23N3O3/c1-13-4-2-5-14(12-13)18-16(21)15(20)17-6-3-7-19-8-10-22-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H,17,20)(H,18,21)
InChIKeyZZPQDIMMVWETEJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.77
Rot. Bonds5

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

N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 3147422) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID3147422
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H23N3O3/c1-13-4-2-5-14(12-13)18-16(21)15(20)17-6-3-7-19-8-10-22-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H,17,20)(H,18,21)
InChIKeyZZPQDIMMVWETEJ-UHFFFAOYSA-N
XLogP0.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.77
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-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 3147422) is N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is Cc1cccc(NC(=O)C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is ZZPQDIMMVWETEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13-4-2-5-14(12-13)18-16(21)15(20)17-6-3-7-19-8-10-22-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 305.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 3147422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).