N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C16H23N3O3 — CID 2222830

IUPACN'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H23N3O3/c1-13-5-2-3-6-14(13)18-16(21)15(20)17-7-4-8-19-9-11-22-12-10-19/h2-3,5-6H,4,7-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyCZTXMNVYVFPXOZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.77
Rot. Bonds5

About N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 2222830) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID2222830
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H23N3O3/c1-13-5-2-3-6-14(13)18-16(21)15(20)17-7-4-8-19-9-11-22-12-10-19/h2-3,5-6H,4,7-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyCZTXMNVYVFPXOZ-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'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 2222830) is N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is CZTXMNVYVFPXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13-5-2-3-6-14(13)18-16(21)15(20)17-7-4-8-19-9-11-22-12-10-19/h2-3,5-6H,4,7-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(2-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'-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 2222830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).