N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide

C19H22N2O3 — CID 112819645

IUPACN-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)N2CCc3ccccc32)c1O
InChIInChI=1S/C19H22N2O3/c1-13(21-11-10-14-6-3-4-8-16(14)21)12-20-19(23)15-7-5-9-17(24-2)18(15)22/h3-9,13,22H,10-12H2,1-2H3,(H,20,23)
InChIKeySNWTZENPGZJMTM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.58
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide

N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide (PubChem CID 112819645) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
PubChem CID112819645
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)N2CCc3ccccc32)c1O
InChIInChI=1S/C19H22N2O3/c1-13(21-11-10-14-6-3-4-8-16(14)21)12-20-19(23)15-7-5-9-17(24-2)18(15)22/h3-9,13,22H,10-12H2,1-2H3,(H,20,23)
InChIKeySNWTZENPGZJMTM-UHFFFAOYSA-N
XLogP2.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976526
N-(2-cyclopropylpropyl)-2-hydroxy-3-methoxybenzamide
CID 115591215
3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide
CID 37193661
N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112819630
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-hydroxy-4-nitrobenzamide
CID 37204760
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide (CID 112819645) is N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NCC(C)N2CCc3ccccc32)c1O.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide?
The InChIKey is SNWTZENPGZJMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(21-11-10-14-6-3-4-8-16(14)21)12-20-19(23)15-7-5-9-17(24-2)18(15)22/h3-9,13,22H,10-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide?
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 112819645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).