N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide

C16H22ClN3O3 — CID 2172999

IUPACN'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O3/c17-14-4-2-13(3-5-14)12-19-16(22)15(21)18-6-1-7-20-8-10-23-11-9-20/h2-5H,1,6-12H2,(H,18,21)(H,19,22)
InChIKeyYDANCMCQTFKLRN-UHFFFAOYSA-N
MW339.82 g/mol
LogP0.79
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 2172999) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID2172999
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O3/c17-14-4-2-13(3-5-14)12-19-16(22)15(21)18-6-1-7-20-8-10-23-11-9-20/h2-5H,1,6-12H2,(H,18,21)(H,19,22)
InChIKeyYDANCMCQTFKLRN-UHFFFAOYSA-N
XLogP0.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.79
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'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 2172999) is N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is YDANCMCQTFKLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c17-14-4-2-13(3-5-14)12-19-16(22)15(21)18-6-1-7-20-8-10-23-11-9-20/h2-5H,1,6-12H2,(H,18,21)(H,19,22).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 339.82 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 2172999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).