3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide

C22H26N2O5 — CID 53043786

IUPAC3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
SMILESCCC(=O)N1CCc2cc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21
InChIInChI=1S/C22H26N2O5/c1-5-20(25)24-9-8-15-10-14(6-7-17(15)24)13-23-22(26)16-11-18(27-2)21(29-4)19(12-16)28-3/h6-7,10-12H,5,8-9,13H2,1-4H3,(H,23,26)
InChIKeyWSHJTXUAWNYQHA-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.94
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide

3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide (PubChem CID 53043786) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
PubChem CID53043786
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
SMILESCCC(=O)N1CCc2cc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21
InChIInChI=1S/C22H26N2O5/c1-5-20(25)24-9-8-15-10-14(6-7-17(15)24)13-23-22(26)16-11-18(27-2)21(29-4)19(12-16)28-3/h6-7,10-12H,5,8-9,13H2,1-4H3,(H,23,26)
InChIKeyWSHJTXUAWNYQHA-UHFFFAOYSA-N
XLogP2.94
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53089926
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53089967
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide (CID 53043786) is 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide is CCC(=O)N1CCc2cc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide?
The InChIKey is WSHJTXUAWNYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-5-20(25)24-9-8-15-10-14(6-7-17(15)24)13-23-22(26)16-11-18(27-2)21(29-4)19(12-16)28-3/h6-7,10-12H,5,8-9,13H2,1-4H3,(H,23,26).
What are the key properties of 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide is sourced from PubChem (CID 53043786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).