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

C22H29N3O3 — CID 67270809

IUPAC2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCOC(C)CNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O
InChIInChI=1S/C22H29N3O3/c1-13-8-17-19(10-22(3,4)11-20(17)26)25(13)15-6-7-16(21(23)27)18(9-15)24-12-14(2)28-5/h6-9,14,24H,10-12H2,1-5H3,(H2,23,27)
InChIKeyWNDZRDHAFUYMCN-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.49
Rot. Bonds6

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

2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (PubChem CID 67270809) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.

Molecular Properties

Compound Name2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
PubChem CID67270809
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
SMILESCOC(C)CNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O
InChIInChI=1S/C22H29N3O3/c1-13-8-17-19(10-22(3,4)11-20(17)26)25(13)15-6-7-16(21(23)27)18(9-15)24-12-14(2)28-5/h6-9,14,24H,10-12H2,1-5H3,(H2,23,27)
InChIKeyWNDZRDHAFUYMCN-UHFFFAOYSA-N
XLogP3.49
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The IUPAC name of 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide (CID 67270809) is 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide.
What is the SMILES notation for 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The canonical SMILES for 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is COC(C)CNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O.
What is the InChIKey of 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
The InChIKey is WNDZRDHAFUYMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-13-8-17-19(10-22(3,4)11-20(17)26)25(13)15-6-7-16(21(23)27)18(9-15)24-12-14(2)28-5/h6-9,14,24H,10-12H2,1-5H3,(H2,23,27).
What are the key properties of 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide?
2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropylamino)-4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide is sourced from PubChem (CID 67270809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).