1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate

C22H23NO3 — CID 86890633

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate
SMILESCCC(=O)N1CCc2cc(C(=O)OC3CCc4ccccc4C3)ccc21
InChIInChI=1S/C22H23NO3/c1-2-21(24)23-12-11-17-13-18(8-10-20(17)23)22(25)26-19-9-7-15-5-3-4-6-16(15)14-19/h3-6,8,10,13,19H,2,7,9,11-12,14H2,1H3
InChIKeyWCZDUDCJUOFLTI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.70
Rot. Bonds3

About 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate

1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate (PubChem CID 86890633) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate
PubChem CID86890633
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate
SMILESCCC(=O)N1CCc2cc(C(=O)OC3CCc4ccccc4C3)ccc21
InChIInChI=1S/C22H23NO3/c1-2-21(24)23-12-11-17-13-18(8-10-20(17)23)22(25)26-19-9-7-15-5-3-4-6-16(15)14-19/h3-6,8,10,13,19H,2,7,9,11-12,14H2,1H3
InChIKeyWCZDUDCJUOFLTI-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate (CID 86890633) is 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate is CCC(=O)N1CCc2cc(C(=O)OC3CCc4ccccc4C3)ccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate?
The InChIKey is WCZDUDCJUOFLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-2-21(24)23-12-11-17-13-18(8-10-20(17)23)22(25)26-19-9-7-15-5-3-4-6-16(15)14-19/h3-6,8,10,13,19H,2,7,9,11-12,14H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate?
1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 86890633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).