N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide

C19H22N2O3 — CID 108505831

IUPACN'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c22-14-13-21(15-17-9-5-2-6-10-17)19(24)18(23)20-12-11-16-7-3-1-4-8-16/h1-10,22H,11-15H2,(H,20,23)
InChIKeyJMFJQQJMUVHSLH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.37
Rot. Bonds7

About N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide

N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide (PubChem CID 108505831) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
PubChem CID108505831
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c22-14-13-21(15-17-9-5-2-6-10-17)19(24)18(23)20-12-11-16-7-3-1-4-8-16/h1-10,22H,11-15H2,(H,20,23)
InChIKeyJMFJQQJMUVHSLH-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N'-benzyl-N'-(2-hydroxyethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518112
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
CID 43587245
1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 108901690
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507589
1-benzyl-1-(2-hydroxyethyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 18230960
1,1,3-tris(2-phenylethyl)urea
CID 123287811
1-benzyl-1,3-bis(2-phenylethyl)thiourea
CID 7941441

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide (CID 108505831) is N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide?
The InChIKey is JMFJQQJMUVHSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-14-13-21(15-17-9-5-2-6-10-17)19(24)18(23)20-12-11-16-7-3-1-4-8-16/h1-10,22H,11-15H2,(H,20,23).
What are the key properties of N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide?
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 108505831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).