N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide

C22H21N3O4 — CID 90497463

IUPACN'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H21N3O4/c1-14(26)24-16-9-11-17(12-10-16)25-22(29)21(28)23-13-20(27)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,20,27H,13H2,1H3,(H,23,28)(H,24,26)(H,25,29)
InChIKeyDFNQUBVGHOEOTN-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.59
Rot. Bonds5

About N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide

N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide (PubChem CID 90497463) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
PubChem CID90497463
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H21N3O4/c1-14(26)24-16-9-11-17(12-10-16)25-22(29)21(28)23-13-20(27)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,20,27H,13H2,1H3,(H,23,28)(H,24,26)(H,25,29)
InChIKeyDFNQUBVGHOEOTN-UHFFFAOYSA-N
XLogP2.59
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-naphthalen-1-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 56764179
N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497468
N'-(4-acetamidophenyl)-N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]oxamide
CID 121179642
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]oxamide
CID 95367281
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 90524589
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 90524620
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497477
N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893729
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454514
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454719

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide (CID 90497463) is N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
The InChIKey is DFNQUBVGHOEOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)24-16-9-11-17(12-10-16)25-22(29)21(28)23-13-20(27)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,20,27H,13H2,1H3,(H,23,28)(H,24,26)(H,25,29).
What are the key properties of N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide?
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide has a molecular weight of 391.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide is sourced from PubChem (CID 90497463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).