N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide

C13H17N3O4 — CID 108525152

IUPACN-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H17N3O4/c1-2-16(7-8-17)13(20)12(19)15-10-6-4-3-5-9(10)11(14)18/h3-6,17H,2,7-8H2,1H3,(H2,14,18)(H,15,19)
InChIKeyYZWFWBVYWFRKNE-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.44
Rot. Bonds5

About N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide

N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide (PubChem CID 108525152) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
PubChem CID108525152
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H17N3O4/c1-2-16(7-8-17)13(20)12(19)15-10-6-4-3-5-9(10)11(14)18/h3-6,17H,2,7-8H2,1H3,(H2,14,18)(H,15,19)
InChIKeyYZWFWBVYWFRKNE-UHFFFAOYSA-N
XLogP-0.44
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.44
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

2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]benzamide
CID 60685820
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525164
N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336227
N'-ethyl-N'-(2-hydroxyethyl)-N-pyridin-2-yloxamide
CID 108525117
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
N-(2-carbamoylphenyl)-N'-propan-2-yloxamide
CID 108503318
N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide
CID 108524213
N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121338
N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide
CID 108501514
N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508740

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide (CID 108525152) is N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide is CCN(CCO)C(=O)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The InChIKey is YZWFWBVYWFRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-16(7-8-17)13(20)12(19)15-10-6-4-3-5-9(10)11(14)18/h3-6,17H,2,7-8H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide has a molecular weight of 279.30 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108525152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).