N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide

C20H24N2O5 — CID 99903169

IUPACN-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESCOc1ccc([C@@H](O)CNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C20H24N2O5/c1-13(14-7-5-4-6-8-14)22-20(25)19(24)21-12-16(23)15-9-10-17(26-2)18(11-15)27-3/h4-11,13,16,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-,16-/m0/s1
InChIKeySVRBFMQYDLTZQN-BBRMVZONSA-N
MW372.42 g/mol
LogP1.73
Rot. Bonds7

About N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 99903169) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID99903169
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESCOc1ccc([C@@H](O)CNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C20H24N2O5/c1-13(14-7-5-4-6-8-14)22-20(25)19(24)21-12-16(23)15-9-10-17(26-2)18(11-15)27-3/h4-11,13,16,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-,16-/m0/s1
InChIKeySVRBFMQYDLTZQN-BBRMVZONSA-N
XLogP1.73
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 72717719
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613622
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide (CID 99903169) is N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide is COc1ccc([C@@H](O)CNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1OC.
What is the InChIKey of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is SVRBFMQYDLTZQN-BBRMVZONSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(14-7-5-4-6-8-14)22-20(25)19(24)21-12-16(23)15-9-10-17(26-2)18(11-15)27-3/h4-11,13,16,23H,12H2,1-3H3,(H,21,24)(H,22,25)/t13-,16-/m0/s1.
What are the key properties of N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide?
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 372.42 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 99903169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).