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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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-3-hydroxy-4-methoxybenzamide
CID 79735171
2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid
CID 119180338
2-[2-ethoxy-4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)carbamoyl]phenoxy]acetic acid
CID 120549970
N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
CID 63252905
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
N-(2,3-dihydro-1H-indol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 63252648
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739
methyl 7-[(3,4-diethoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034857
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684

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).