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

C17H25N3O3 — CID 3120489

IUPACN-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H25N3O3/c21-16(18-8-4-10-20-11-13-23-14-12-20)17(22)19-9-7-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,18,21)(H,19,22)
InChIKeyXEXNBQLZJZLRPK-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.18
Rot. Bonds7

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

N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide (PubChem CID 3120489) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide
PubChem CID3120489
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H25N3O3/c21-16(18-8-4-10-20-11-13-23-14-12-20)17(22)19-9-7-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,18,21)(H,19,22)
InChIKeyXEXNBQLZJZLRPK-UHFFFAOYSA-N
XLogP0.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.18
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-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide (CID 3120489) is N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide?
The InChIKey is XEXNBQLZJZLRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16(18-8-4-10-20-11-13-23-14-12-20)17(22)19-9-7-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,18,21)(H,19,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide?
N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide has a molecular weight of 319.40 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N'-(2-phenylethyl)oxamide is sourced from PubChem (CID 3120489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).