(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone

C18H27NO3 — CID 97451253

IUPAC(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)CC(OCC(C)C)C2
InChIInChI=1S/C18H27NO3/c1-13(2)12-22-15-10-18(11-15)5-7-19(8-6-18)17(20)16-4-9-21-14(16)3/h4,9,13,15H,5-8,10-12H2,1-3H3
InChIKeyVFDJCKJWSHKQFQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.65
Rot. Bonds4

About (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone

(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 97451253) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID97451253
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)CC(OCC(C)C)C2
InChIInChI=1S/C18H27NO3/c1-13(2)12-22-15-10-18(11-15)5-7-19(8-6-18)17(20)16-4-9-21-14(16)3/h4,9,13,15H,5-8,10-12H2,1-3H3
InChIKeyVFDJCKJWSHKQFQ-UHFFFAOYSA-N
XLogP3.65
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylfuran-3-yl)-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451294
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
CID 131652733
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700857
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 97450408
[2-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(2-methylfuran-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155840655
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
(2-methylfuran-3-yl)-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97449506
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone (CID 97451253) is (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone is Cc1occc1C(=O)N1CCC2(CC1)CC(OCC(C)C)C2.
What is the InChIKey of (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is VFDJCKJWSHKQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)12-22-15-10-18(11-15)5-7-19(8-6-18)17(20)16-4-9-21-14(16)3/h4,9,13,15H,5-8,10-12H2,1-3H3.
What are the key properties of (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone?
(2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[2-(2-methylpropoxy)-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 97451253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).