N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide

C19H25BN2O4 — CID 170808176

IUPACN-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC(=Cc1ccc2c(c1)CC(=O)N2)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H25BN2O4/c1-12(23)21-11-15(20-25-18(2,3)19(4,5)26-20)9-13-6-7-16-14(8-13)10-17(24)22-16/h6-9H,10-11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyIBZBKGICFDXNIP-UHFFFAOYSA-N
MW356.23 g/mol
LogP2.33
Rot. Bonds4

About N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide

N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide (PubChem CID 170808176) has the molecular formula C19H25BN2O4 and a molecular weight of 356.23 g/mol. Its IUPAC name is N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
PubChem CID170808176
Molecular FormulaC19H25BN2O4
Molecular Weight356.23 g/mol
Exact Mass356.19
IUPAC NameN-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC(=Cc1ccc2c(c1)CC(=O)N2)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H25BN2O4/c1-12(23)21-11-15(20-25-18(2,3)19(4,5)26-20)9-13-6-7-16-14(8-13)10-17(24)22-16/h6-9H,10-11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyIBZBKGICFDXNIP-UHFFFAOYSA-N
XLogP2.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-oxo-1,2-dihydroisoindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808180
N-[3-(3-amino-4-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807697
N-[3-(4-bromo-3-fluorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808888
N-[3-(4-formyl-3-methylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807894
5-[3-acetamido-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-2-hydroxybenzamide
CID 170808376
N-[3-(3-aminophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807454
N-[3-[4-(dimethylamino)phenyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808011
N-[3-(2-methyl-1,3-benzoxazol-6-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808183
tert-butyl N-[3-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170810255
6-[3-acetamido-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 170808826
4-[3-acetamido-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]pyridine-2-carboxylic acid
CID 170808045
N-[3-(1-oxidopyridin-1-ium-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807471

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide (CID 170808176) is N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide is CC(=O)NCC(=Cc1ccc2c(c1)CC(=O)N2)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide?
The InChIKey is IBZBKGICFDXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BN2O4/c1-12(23)21-11-15(20-25-18(2,3)19(4,5)26-20)9-13-6-7-16-14(8-13)10-17(24)22-16/h6-9H,10-11H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide?
N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide has a molecular weight of 356.23 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 170808176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).