N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide

C19H22N2O3 — CID 119473764

IUPACN-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3)cc1OCC
InChIInChI=1S/C19H22N2O3/c1-3-23-17-8-5-14(12-18(17)24-4-2)19(22)21-15-6-7-16-13(11-15)9-10-20-16/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyYXCSEFLWMJVONK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.70
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide

N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide (PubChem CID 119473764) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
PubChem CID119473764
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3)cc1OCC
InChIInChI=1S/C19H22N2O3/c1-3-23-17-8-5-14(12-18(17)24-4-2)19(22)21-15-6-7-16-13(11-15)9-10-20-16/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyYXCSEFLWMJVONK-UHFFFAOYSA-N
XLogP3.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide (CID 119473764) is N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc3c(c2)CCN3)cc1OCC.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide?
The InChIKey is YXCSEFLWMJVONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-23-17-8-5-14(12-18(17)24-4-2)19(22)21-15-6-7-16-13(11-15)9-10-20-16/h5-8,11-12,20H,3-4,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide?
N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 119473764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).