N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide

C17H25N3O4 — CID 44902502

IUPACN'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H25N3O4/c1-23-15-6-3-2-5-14(15)13-19-17(22)16(21)18-7-4-8-20-9-11-24-12-10-20/h2-3,5-6H,4,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyBPONWAXAPPEDMR-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.15
Rot. Bonds7

About N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 44902502) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID44902502
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H25N3O4/c1-23-15-6-3-2-5-14(15)13-19-17(22)16(21)18-7-4-8-20-9-11-24-12-10-20/h2-3,5-6H,4,7-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyBPONWAXAPPEDMR-UHFFFAOYSA-N
XLogP0.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
N'-[(2-methoxyphenyl)methyl]-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891852
N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 108525840
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
N-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185793
1-[(2-methoxyphenyl)methyl]-3-(3-morpholin-4-ylpropyl)-2-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111216444
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 44902502) is N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide is COc1ccccc1CNC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is BPONWAXAPPEDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-15-6-3-2-5-14(15)13-19-17(22)16(21)18-7-4-8-20-9-11-24-12-10-20/h2-3,5-6H,4,7-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 335.40 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 44902502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).