N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide

C20H25N3O5 — CID 90581690

IUPACN'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCC(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H25N3O5/c1-23(2)14-7-5-13(6-8-14)17(24)12-21-19(25)20(26)22-16-11-15(27-3)9-10-18(16)28-4/h5-11,17,24H,12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyJCYFDYMTDADFJK-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.56
Rot. Bonds7

About N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide

N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide (PubChem CID 90581690) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
PubChem CID90581690
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NCC(O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H25N3O5/c1-23(2)14-7-5-13(6-8-14)17(24)12-21-19(25)20(26)22-16-11-15(27-3)9-10-18(16)28-4/h5-11,17,24H,12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyJCYFDYMTDADFJK-UHFFFAOYSA-N
XLogP1.56
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106081
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90581652
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 95368322
N'-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N-(2-methylpropyl)oxamide
CID 90581629
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 121132648
N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454488
N-(2,5-dimethoxyphenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6112689
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593
N'-(1,3-benzodioxol-5-yl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 71803739
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide (CID 90581690) is N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide is COc1ccc(OC)c(NC(=O)C(=O)NCC(O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide?
The InChIKey is JCYFDYMTDADFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-23(2)14-7-5-13(6-8-14)17(24)12-21-19(25)20(26)22-16-11-15(27-3)9-10-18(16)28-4/h5-11,17,24H,12H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide?
N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide has a molecular weight of 387.44 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide is sourced from PubChem (CID 90581690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).