2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane

C25H31NO3 — CID 142283410

IUPAC2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccc(C2COC3(CCNCC3)C2)cc1.O=C(O)C1CCc2ccccc21
InChIInChI=1S/C15H21NO.C10H10O2/c1-12-2-4-13(5-3-12)14-10-15(17-11-14)6-8-16-9-7-15;11-10(12)9-6-5-7-3-1-2-4-8(7)9/h2-5,14,16H,6-11H2,1H3;1-4,9H,5-6H2,(H,11,12)
InChIKeyQPIFDHBPSTVCDZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.42
Rot. Bonds2

About 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane

2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 142283410) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID142283410
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
SMILESCc1ccc(C2COC3(CCNCC3)C2)cc1.O=C(O)C1CCc2ccccc21
InChIInChI=1S/C15H21NO.C10H10O2/c1-12-2-4-13(5-3-12)14-10-15(17-11-14)6-8-16-9-7-15;11-10(12)9-6-5-7-3-1-2-4-8(7)9/h2-5,14,16H,6-11H2,1H3;1-4,9H,5-6H2,(H,11,12)
InChIKeyQPIFDHBPSTVCDZ-UHFFFAOYSA-N
XLogP4.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane
CID 124703511
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
3-(4-methylphenyl)-1-oxa-8-azoniaspiro[4.5]decane
CID 142283417
2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 158912693
2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79909189
(4-cyclobutylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 116505629
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
CID 65408183
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
[4-(4-methylphenyl)-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)cyclohexyl] acetate
CID 144517003
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 146198306

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane (CID 142283410) is 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane is Cc1ccc(C2COC3(CCNCC3)C2)cc1.O=C(O)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QPIFDHBPSTVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C10H10O2/c1-12-2-4-13(5-3-12)14-10-15(17-11-14)6-8-16-9-7-15;11-10(12)9-6-5-7-3-1-2-4-8(7)9/h2-5,14,16H,6-11H2,1H3;1-4,9H,5-6H2,(H,11,12).
What are the key properties of 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane?
2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 393.53 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-1-carboxylic acid;3-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 142283410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).