[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone

C17H24N2O4 — CID 118744601

IUPAC[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCOC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C17H24N2O4/c20-16(15-3-6-21-10-15)19-5-8-23-17(12-19)11-18(4-7-22-13-17)9-14-1-2-14/h3,6,10,14H,1-2,4-5,7-9,11-13H2
InChIKeyQYQKUYOGGNAFJX-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.23
Rot. Bonds3

About [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone

[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone (PubChem CID 118744601) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone
PubChem CID118744601
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCOC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C17H24N2O4/c20-16(15-3-6-21-10-15)19-5-8-23-17(12-19)11-18(4-7-22-13-17)9-14-1-2-14/h3,6,10,14H,1-2,4-5,7-9,11-13H2
InChIKeyQYQKUYOGGNAFJX-UHFFFAOYSA-N
XLogP1.23
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone?
The IUPAC name of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone (CID 118744601) is [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone?
The canonical SMILES for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCOC2(COCCN(CC3CC3)C2)C1.
What is the InChIKey of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone?
The InChIKey is QYQKUYOGGNAFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-16(15-3-6-21-10-15)19-5-8-23-17(12-19)11-18(4-7-22-13-17)9-14-1-2-14/h3,6,10,14H,1-2,4-5,7-9,11-13H2.
What are the key properties of [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone?
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 118744601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).