N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

C18H21N3O4 — CID 108524269

IUPACN'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESO=C(NCCOCCO)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O4/c22-11-13-25-12-10-19-17(23)18(24)21-16-8-6-15(7-9-16)20-14-4-2-1-3-5-14/h1-9,20,22H,10-13H2,(H,19,23)(H,21,24)
InChIKeyQMROYCDPDMHGBY-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.49
Rot. Bonds8

About N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide

N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (PubChem CID 108524269) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
PubChem CID108524269
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
SMILESO=C(NCCOCCO)C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O4/c22-11-13-25-12-10-19-17(23)18(24)21-16-8-6-15(7-9-16)20-14-4-2-1-3-5-14/h1-9,20,22H,10-13H2,(H,19,23)(H,21,24)
InChIKeyQMROYCDPDMHGBY-UHFFFAOYSA-N
XLogP1.49
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108514776
methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108524295
N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524350
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N'-(2-carbamoylphenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524308
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
N'-phenyl-N-propyloxamide
CID 2291438
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108501826
N-butyl-N'-phenyloxamide
CID 2290889
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
S-[2-[(2-anilino-2-oxoacetyl)amino]ethyl] ethanethioate
CID 10945372

Frequently Asked Questions

What is the IUPAC name of N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The IUPAC name of N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide (CID 108524269) is N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide.
What is the SMILES notation for N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The canonical SMILES for N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is O=C(NCCOCCO)C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
The InChIKey is QMROYCDPDMHGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-11-13-25-12-10-19-17(23)18(24)21-16-8-6-15(7-9-16)20-14-4-2-1-3-5-14/h1-9,20,22H,10-13H2,(H,19,23)(H,21,24).
What are the key properties of N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide?
N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide has a molecular weight of 343.38 g/mol, XLogP of 1.49, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide is sourced from PubChem (CID 108524269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).