N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide

C22H25N3O5 — CID 41009071

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)N[C@H]2C(=O)N(C(C)C)c3ccccc32)cc1OC
InChIInChI=1S/C22H25N3O5/c1-13(2)25-16-8-6-5-7-15(16)19(22(25)28)24-21(27)20(26)23-12-14-9-10-17(29-3)18(11-14)30-4/h5-11,13,19H,12H2,1-4H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyJCXSVKGUERPWLV-LJQANCHMSA-N
MW411.46 g/mol
LogP1.93
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide

N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide (PubChem CID 41009071) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
PubChem CID41009071
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)N[C@H]2C(=O)N(C(C)C)c3ccccc32)cc1OC
InChIInChI=1S/C22H25N3O5/c1-13(2)25-16-8-6-5-7-15(16)19(22(25)28)24-21(27)20(26)23-12-14-9-10-17(29-3)18(11-14)30-4/h5-11,13,19H,12H2,1-4H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyJCXSVKGUERPWLV-LJQANCHMSA-N
XLogP1.93
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.93
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-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 98229429
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-N'-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)propanediamide
CID 69282780
N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
N-[(4-chlorophenyl)methyl]-N'-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 98209770
N-[(3-fluorophenyl)methyl]-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 51971306
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186565
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 11944398
N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide (CID 41009071) is N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide is COc1ccc(CNC(=O)C(=O)N[C@H]2C(=O)N(C(C)C)c3ccccc32)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The InChIKey is JCXSVKGUERPWLV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-13(2)25-16-8-6-5-7-15(16)19(22(25)28)24-21(27)20(26)23-12-14-9-10-17(29-3)18(11-14)30-4/h5-11,13,19H,12H2,1-4H3,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide has a molecular weight of 411.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide is sourced from PubChem (CID 41009071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).