2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone

C24H22N2O3 — CID 70863755

IUPAC2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone
SMILESC=Nc1cc(OCc2cccc(CO)c2)ccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H22N2O3/c1-25-22-14-20(29-16-18-6-4-5-17(13-18)15-27)9-10-21(22)24(28)26-12-11-19-7-2-3-8-23(19)26/h2-10,13-14,27H,1,11-12,15-16H2
InChIKeyIIXIFYOQJNBQMB-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.29
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone

2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone (PubChem CID 70863755) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone
PubChem CID70863755
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone
SMILESC=Nc1cc(OCc2cccc(CO)c2)ccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H22N2O3/c1-25-22-14-20(29-16-18-6-4-5-17(13-18)15-27)9-10-21(22)24(28)26-12-11-19-7-2-3-8-23(19)26/h2-10,13-14,27H,1,11-12,15-16H2
InChIKeyIIXIFYOQJNBQMB-UHFFFAOYSA-N
XLogP4.29
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
2,3-dihydroindol-1-yl-(2-phenylmethoxyphenyl)methanone
CID 4946349
N-[3-[[4-(2,3-dihydroindole-1-carbonyl)-2-methoxy-5-(methylideneamino)phenoxy]methyl]-5-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 126497037
N-[3-[[4-(2,3-dihydroindole-1-carbonyl)-2-methoxy-5-(methylideneamino)phenoxy]methyl]-5-(phosphanyloxymethyl)phenyl]-2-(methylamino)propanamide
CID 126497038
N-[2-[[1-[3-[[4-(2,3-dihydroindole-1-carbonyl)-2-methoxy-5-(methylideneamino)phenoxy]methyl]-5-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]hexanamide
CID 126497009
[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 18205239
2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
2,3-dihydroindol-1-yl-[5-[(4-iodophenoxy)methyl]furan-2-yl]methanone
CID 1017781
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 61035060

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone (CID 70863755) is 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone is C=Nc1cc(OCc2cccc(CO)c2)ccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone?
The InChIKey is IIXIFYOQJNBQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-25-22-14-20(29-16-18-6-4-5-17(13-18)15-27)9-10-21(22)24(28)26-12-11-19-7-2-3-8-23(19)26/h2-10,13-14,27H,1,11-12,15-16H2.
What are the key properties of 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone?
2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone has a molecular weight of 386.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-[[3-(hydroxymethyl)phenyl]methoxy]-2-(methylideneamino)phenyl]methanone is sourced from PubChem (CID 70863755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).