2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

C22H28N2O3 — CID 58139456

IUPAC2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCOCCCc1cc(-n2cc(C)c3c2CC(C)(C)CC3=O)ccc1C(N)=O
InChIInChI=1S/C22H28N2O3/c1-14-13-24(18-11-22(2,3)12-19(25)20(14)18)16-7-8-17(21(23)26)15(10-16)6-5-9-27-4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H2,23,26)
InChIKeyYDWAYXHLBBHJBV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.62
Rot. Bonds6

About 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 58139456) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID58139456
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCOCCCc1cc(-n2cc(C)c3c2CC(C)(C)CC3=O)ccc1C(N)=O
InChIInChI=1S/C22H28N2O3/c1-14-13-24(18-11-22(2,3)12-19(25)20(14)18)16-7-8-17(21(23)26)15(10-16)6-5-9-27-4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H2,23,26)
InChIKeyYDWAYXHLBBHJBV-UHFFFAOYSA-N
XLogP3.62
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]-2-hydroxyethyl] acetate
CID 141365885
[4-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]cyclohexyl] acetate
CID 66952698
[4-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]cyclohexyl] 2-aminoacetate
CID 11854436
2-(oxan-2-ylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 66952603
2-(3-methoxypropylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 66952874
1-amino-N-hydroxy-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)isoquinoline-4-carboxamide
CID 59213803
2-tert-butyl-4-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)anilino]piperidine-1-carboxylic acid
CID 130194267
1-amino-N'-hydroxy-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)isoquinoline-4-carboximidamide
CID 74423575
1-[4-amino-8-(3-methoxypropoxy)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
CID 25062019
2-methyl-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 11856028
2-[3-[2-[2-[2-[2-[3-[2-carbamoyl-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)anilino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 90075515
1-[3-(cyclopropylamino)phenyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one
CID 141155579

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 58139456) is 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is COCCCc1cc(-n2cc(C)c3c2CC(C)(C)CC3=O)ccc1C(N)=O.
What is the InChIKey of 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is YDWAYXHLBBHJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-14-13-24(18-11-22(2,3)12-19(25)20(14)18)16-7-8-17(21(23)26)15(10-16)6-5-9-27-4/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H2,23,26).
What are the key properties of 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 58139456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).