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

C18H27N3O4 — CID 125145042

IUPACN'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCOc1ccc(CNC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O4/c1-2-25-16-6-4-15(5-7-16)14-20-18(23)17(22)19-8-3-9-21-10-12-24-13-11-21/h4-7H,2-3,8-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyXSPIKYXPRSRKHR-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.54
Rot. Bonds8

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

N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 125145042) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID125145042
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCOc1ccc(CNC(=O)C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H27N3O4/c1-2-25-16-6-4-15(5-7-16)14-20-18(23)17(22)19-8-3-9-21-10-12-24-13-11-21/h4-7H,2-3,8-14H2,1H3,(H,19,22)(H,20,23)
InChIKeyXSPIKYXPRSRKHR-UHFFFAOYSA-N
XLogP0.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.54
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,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
3-benzyl-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3399860
1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 23610595
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
N-[(4-ethoxyphenyl)methyl]-5-methyl-4-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341215
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111181781
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4130735
N'-[(4-ethoxyphenyl)methyl]-N-(3-methylbutyl)oxamide
CID 125144994
1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973678

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide (CID 125145042) is N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide is CCOc1ccc(CNC(=O)C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is XSPIKYXPRSRKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-2-25-16-6-4-15(5-7-16)14-20-18(23)17(22)19-8-3-9-21-10-12-24-13-11-21/h4-7H,2-3,8-14H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 349.43 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 125145042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).