N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide

C24H27N3O4 — CID 41454488

IUPACN'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1
InChIInChI=1S/C24H27N3O4/c1-27(2)21(19-11-7-9-16-8-5-6-10-18(16)19)15-25-23(28)24(29)26-20-14-17(30-3)12-13-22(20)31-4/h5-14,21H,15H2,1-4H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyJOBMVZHNTCAUQV-NRFANRHFSA-N
MW421.50 g/mol
LogP3.21
Rot. Bonds7

About N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide

N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide (PubChem CID 41454488) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
PubChem CID41454488
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1
InChIInChI=1S/C24H27N3O4/c1-27(2)21(19-11-7-9-16-8-5-6-10-18(16)19)15-25-23(28)24(29)26-20-14-17(30-3)12-13-22(20)31-4/h5-14,21H,15H2,1-4H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyJOBMVZHNTCAUQV-NRFANRHFSA-N
XLogP3.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
N'-(2,5-difluorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454579
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(2-nitrophenyl)oxamide
CID 41454643
N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454514
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581690
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454099
N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
CID 19661204
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 41454681
N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497468
N'-(2,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598245

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide (CID 41454488) is N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide is COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The InChIKey is JOBMVZHNTCAUQV-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-27(2)21(19-11-7-9-16-8-5-6-10-18(16)19)15-25-23(28)24(29)26-20-14-17(30-3)12-13-22(20)31-4/h5-14,21H,15H2,1-4H3,(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide has a molecular weight of 421.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide is sourced from PubChem (CID 41454488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).