N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide

C13H15N3O4 — CID 108501514

IUPACN-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)N(CCO)CCO
InChIInChI=1S/C13H15N3O4/c14-9-10-3-1-2-4-11(10)15-12(19)13(20)16(5-7-17)6-8-18/h1-4,17-18H,5-8H2,(H,15,19)
InChIKeyQIMQXZYVSJBZTQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.69
Rot. Bonds5

About N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide

N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide (PubChem CID 108501514) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide
PubChem CID108501514
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)N(CCO)CCO
InChIInChI=1S/C13H15N3O4/c14-9-10-3-1-2-4-11(10)15-12(19)13(20)16(5-7-17)6-8-18/h1-4,17-18H,5-8H2,(H,15,19)
InChIKeyQIMQXZYVSJBZTQ-UHFFFAOYSA-N
XLogP-0.69
TPSA113.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108509806
(2-cyanophenyl)urea
CID 13155570
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
CID 108501543

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide?
The IUPAC name of N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide (CID 108501514) is N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide is N#Cc1ccccc1NC(=O)C(=O)N(CCO)CCO.
What is the InChIKey of N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide?
The InChIKey is QIMQXZYVSJBZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c14-9-10-3-1-2-4-11(10)15-12(19)13(20)16(5-7-17)6-8-18/h1-4,17-18H,5-8H2,(H,15,19).
What are the key properties of N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide?
N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide has a molecular weight of 277.28 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108501514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).