N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide

C18H17N3O3 — CID 2311274

IUPACN-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCN(C)c1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H17N3O3/c1-21(2)12-9-7-11(8-10-12)19-18(24)16(22)15-13-5-3-4-6-14(13)20-17(15)23/h3-10,15H,1-2H3,(H,19,24)(H,20,23)/t15-/m1/s1
InChIKeyQKZOAMZONMZZQW-OAHLLOKOSA-N
MW323.35 g/mol
LogP2.00
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 2311274) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID2311274
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCN(C)c1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C18H17N3O3/c1-21(2)12-9-7-11(8-10-12)19-18(24)16(22)15-13-5-3-4-6-14(13)20-17(15)23/h3-10,15H,1-2H3,(H,19,24)(H,20,23)/t15-/m1/s1
InChIKeyQKZOAMZONMZZQW-OAHLLOKOSA-N
XLogP2.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2323488
N-(4-chlorophenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2272538
2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid
CID 2323494
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3698854
(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
CID 2321165
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98430375
N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
CID 91350011
N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide
CID 2337508
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N,N-dimethyl-9,10-dihydroacridine-9-carboxamide
CID 125496083

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 2311274) is N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide is CN(C)c1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is QKZOAMZONMZZQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21(2)12-9-7-11(8-10-12)19-18(24)16(22)15-13-5-3-4-6-14(13)20-17(15)23/h3-10,15H,1-2H3,(H,19,24)(H,20,23)/t15-/m1/s1.
What are the key properties of N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 2311274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).