N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide

C16H25N3O3 — CID 108525164

IUPACN-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H25N3O3/c1-4-18(5-2)14-9-7-13(8-10-14)17-15(21)16(22)19(6-3)11-12-20/h7-10,20H,4-6,11-12H2,1-3H3,(H,17,21)
InChIKeySYACOSSGGJEKLI-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.31
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide

N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide (PubChem CID 108525164) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
PubChem CID108525164
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
SMILESCCN(CCO)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H25N3O3/c1-4-18(5-2)14-9-7-13(8-10-14)17-15(21)16(22)19(6-3)11-12-20/h7-10,20H,4-6,11-12H2,1-3H3,(H,17,21)
InChIKeySYACOSSGGJEKLI-UHFFFAOYSA-N
XLogP1.31
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508740
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336227
N',N'-diethyl-N-phenyloxamide
CID 14925038
N-(2-carbamoylphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525152
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
N'-ethyl-N'-(2-hydroxyethyl)-N-pyridin-2-yloxamide
CID 108525117
2-[[4-(diethylamino)phenyl]carbamoyl-ethylamino]acetic acid
CID 63180254
N',N'-diethyl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986203

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide (CID 108525164) is N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide is CCN(CCO)C(=O)C(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
The InChIKey is SYACOSSGGJEKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-18(5-2)14-9-7-13(8-10-14)17-15(21)16(22)19(6-3)11-12-20/h7-10,20H,4-6,11-12H2,1-3H3,(H,17,21).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide?
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide has a molecular weight of 307.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108525164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).