(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide

C23H33N3O3 — CID 51504785

IUPAC(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc21)C1CCC(CNC(=O)[C@@H]2CCOC2)CC1
InChIInChI=1S/C23H33N3O3/c27-22(24-11-13-26-12-9-18-3-1-2-4-21(18)26)19-7-5-17(6-8-19)15-25-23(28)20-10-14-29-16-20/h1-4,17,19-20H,5-16H2,(H,24,27)(H,25,28)/t17?,19?,20-/m1/s1
InChIKeyBESFRBBYNHFPDG-LYBXBRPPSA-N
MW399.54 g/mol
LogP2.12
Rot. Bonds7

About (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide

(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide (PubChem CID 51504785) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide
PubChem CID51504785
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCCN1CCc2ccccc21)C1CCC(CNC(=O)[C@@H]2CCOC2)CC1
InChIInChI=1S/C23H33N3O3/c27-22(24-11-13-26-12-9-18-3-1-2-4-21(18)26)19-7-5-17(6-8-19)15-25-23(28)20-10-14-29-16-20/h1-4,17,19-20H,5-16H2,(H,24,27)(H,25,28)/t17?,19?,20-/m1/s1
InChIKeyBESFRBBYNHFPDG-LYBXBRPPSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]-6-oxopyran-3-carboxamide
CID 46966541
N-[2-(2,3-dihydroindol-1-yl)ethyl]piperidine-4-carboxamide
CID 155615979
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060
(3R,5R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 72848218
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46963818
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
N-(oxolan-3-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 75690987
N-[2-(2,3-dihydroindol-1-yl)phenyl]oxolane-3-carboxamide
CID 75921266
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851186
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110620154
2-(2,3-dihydroindol-1-yl)-1-(oxolan-3-yl)ethanol
CID 113449076

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide (CID 51504785) is (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide is O=C(NCCN1CCc2ccccc21)C1CCC(CNC(=O)[C@@H]2CCOC2)CC1.
What is the InChIKey of (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide?
The InChIKey is BESFRBBYNHFPDG-LYBXBRPPSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-22(24-11-13-26-12-9-18-3-1-2-4-21(18)26)19-7-5-17(6-8-19)15-25-23(28)20-10-14-29-16-20/h1-4,17,19-20H,5-16H2,(H,24,27)(H,25,28)/t17?,19?,20-/m1/s1.
What are the key properties of (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide?
(3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclohexyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 51504785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).