N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide

C22H25N3O4 — CID 98229429

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)N[C@@H]2C(=O)N(C(C)C)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)25-18-7-5-4-6-17(18)19(22(25)28)24-21(27)20(26)23-13-12-15-8-10-16(29-3)11-9-15/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyWMWNECJOKFDPDW-IBGZPJMESA-N
MW395.46 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide

N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide (PubChem CID 98229429) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
PubChem CID98229429
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)N[C@@H]2C(=O)N(C(C)C)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)25-18-7-5-4-6-17(18)19(22(25)28)24-21(27)20(26)23-13-12-15-8-10-16(29-3)11-9-15/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyWMWNECJOKFDPDW-IBGZPJMESA-N
XLogP1.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N'-[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 41009071
N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-N-(2-methoxyethyl)oxamide
CID 41024850
N'-(2,2-dimethoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44997779
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylbutanamide
CID 981255
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-N'-[(7R)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanediamide
CID 129392013
N-[(3S)-1-methyl-2-oxo-3H-indol-3-yl]-N'-[(2R)-4-phenylbutan-2-yl]oxamide
CID 51972137
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
N-benzyl-N'-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]oxamide
CID 40946997
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide (CID 98229429) is N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide is COc1ccc(CCNC(=O)C(=O)N[C@@H]2C(=O)N(C(C)C)c3ccccc32)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
The InChIKey is WMWNECJOKFDPDW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(2)25-18-7-5-4-6-17(18)19(22(25)28)24-21(27)20(26)23-13-12-15-8-10-16(29-3)11-9-15/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide has a molecular weight of 395.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide is sourced from PubChem (CID 98229429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).