N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide

C21H24N2O2 — CID 102560490

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)C1OCCc2ccccc21
InChIInChI=1S/C21H24N2O2/c24-21(20-18-8-3-1-6-16(18)11-15-25-20)22-12-5-13-23-14-10-17-7-2-4-9-19(17)23/h1-4,6-9,20H,5,10-15H2,(H,22,24)
InChIKeyBDRHWKMLFKMXQM-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.87
Rot. Bonds5

About N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 102560490) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID102560490
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)C1OCCc2ccccc21
InChIInChI=1S/C21H24N2O2/c24-21(20-18-8-3-1-6-16(18)11-15-25-20)22-12-5-13-23-14-10-17-7-2-4-9-19(17)23/h1-4,6-9,20H,5,10-15H2,(H,22,24)
InChIKeyBDRHWKMLFKMXQM-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperazin-1-ylpropyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 119994993
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-2-carboxamide
CID 103813592
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]benzoic acid
CID 119994931
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]benzoic acid
CID 124626878
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851186
N-[3-(2,3-dihydroindol-1-yl)propyl]thiomorpholine-3-carboxamide
CID 82896756
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide (CID 102560490) is N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(NCCCN1CCc2ccccc21)C1OCCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is BDRHWKMLFKMXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(20-18-8-3-1-6-16(18)11-15-25-20)22-12-5-13-23-14-10-17-7-2-4-9-19(17)23/h1-4,6-9,20H,5,10-15H2,(H,22,24).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 102560490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).