N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide

C18H21N3O4 — CID 108509880

IUPACN'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide
SMILESNc1ccc(N(C(=O)C(=O)N(CCO)CCO)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O4/c19-14-6-8-16(9-7-14)21(15-4-2-1-3-5-15)18(25)17(24)20(10-12-22)11-13-23/h1-9,22-23H,10-13,19H2
InChIKeyKPAIJKSKHNMYSE-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.75
Rot. Bonds6

About N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide

N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide (PubChem CID 108509880) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide
PubChem CID108509880
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide
SMILESNc1ccc(N(C(=O)C(=O)N(CCO)CCO)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O4/c19-14-6-8-16(9-7-14)21(15-4-2-1-3-5-15)18(25)17(24)20(10-12-22)11-13-23/h1-9,22-23H,10-13,19H2
InChIKeyKPAIJKSKHNMYSE-UHFFFAOYSA-N
XLogP0.75
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide
CID 108525377
N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide
CID 108522831
N'-(4-aminophenyl)-N-naphthalen-1-yl-N'-phenyloxamide
CID 108525369
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
N'-(4-aminophenyl)-N-(2-methoxyethyl)-N'-phenyloxamide
CID 108504994
1-(4-aminophenyl)-3-pentan-3-yl-1-phenylurea
CID 108888323
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592
N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide
CID 108517237
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide
CID 108517834
1-(4-aminophenyl)-3-(2-methoxyethoxymethyl)-1-phenylurea
CID 108894429

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide?
The IUPAC name of N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide (CID 108509880) is N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide?
The canonical SMILES for N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide is Nc1ccc(N(C(=O)C(=O)N(CCO)CCO)c2ccccc2)cc1.
What is the InChIKey of N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide?
The InChIKey is KPAIJKSKHNMYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c19-14-6-8-16(9-7-14)21(15-4-2-1-3-5-15)18(25)17(24)20(10-12-22)11-13-23/h1-9,22-23H,10-13,19H2.
What are the key properties of N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide?
N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide has a molecular weight of 343.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide is sourced from PubChem (CID 108509880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).