N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide

C20H22N2O5 — CID 990802

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-12(23)22-8-7-13-9-15(5-6-16(13)22)21-20(24)14-10-17(25-2)19(27-4)18(11-14)26-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,24)
InChIKeyVKLPWUDURVCMDN-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.87
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide (PubChem CID 990802) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide
PubChem CID990802
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-12(23)22-8-7-13-9-15(5-6-16(13)22)21-20(24)14-10-17(25-2)19(27-4)18(11-14)26-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,24)
InChIKeyVKLPWUDURVCMDN-UHFFFAOYSA-N
XLogP2.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide (CID 990802) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc(OC)c1OC.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is VKLPWUDURVCMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12(23)22-8-7-13-9-15(5-6-16(13)22)21-20(24)14-10-17(25-2)19(27-4)18(11-14)26-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,24).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 370.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 990802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).