N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide

C15H22N3O4+ — CID 7160825

IUPACN'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)c1
InChIInChI=1S/C15H21N3O4/c1-21-13-4-2-3-12(11-13)17-15(20)14(19)16-5-6-18-7-9-22-10-8-18/h2-4,11H,5-10H2,1H3,(H,16,19)(H,17,20)/p+1
InChIKeyKWSKFBVKTBWUBJ-UHFFFAOYSA-O
MW308.36 g/mol
LogP-1.34
Rot. Bonds5

About N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide

N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide (PubChem CID 7160825) has the molecular formula C15H22N3O4+ and a molecular weight of 308.36 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
PubChem CID7160825
Molecular FormulaC15H22N3O4+
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC NameN'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)c1
InChIInChI=1S/C15H21N3O4/c1-21-13-4-2-3-12(11-13)17-15(20)14(19)16-5-6-18-7-9-22-10-8-18/h2-4,11H,5-10H2,1H3,(H,16,19)(H,17,20)/p+1
InChIKeyKWSKFBVKTBWUBJ-UHFFFAOYSA-O
XLogP-1.34
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2201388
N-(3-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 2268249
N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7585524
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 172894059
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
2,4-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenecarbothioamide
CID 7332467

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide (CID 7160825) is N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide is COc1cccc(NC(=O)C(=O)NCC[NH+]2CCOCC2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
The InChIKey is KWSKFBVKTBWUBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O4/c1-21-13-4-2-3-12(11-13)17-15(20)14(19)16-5-6-18-7-9-22-10-8-18/h2-4,11H,5-10H2,1H3,(H,16,19)(H,17,20)/p+1.
What are the key properties of N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide?
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide has a molecular weight of 308.36 g/mol, XLogP of -1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide is sourced from PubChem (CID 7160825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).