[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone

C18H26N2O2 — CID 131691593

IUPAC[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESCOCc1ccc(C(=O)N2CC3(CCN(C(C)C)C3)C2)cc1
InChIInChI=1S/C18H26N2O2/c1-14(2)19-9-8-18(11-19)12-20(13-18)17(21)16-6-4-15(5-7-16)10-22-3/h4-7,14H,8-13H2,1-3H3
InChIKeyZMDXMVMYTQOMHX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.39
Rot. Bonds4

About [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone

[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone (PubChem CID 131691593) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
PubChem CID131691593
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone
SMILESCOCc1ccc(C(=O)N2CC3(CCN(C(C)C)C3)C2)cc1
InChIInChI=1S/C18H26N2O2/c1-14(2)19-9-8-18(11-19)12-20(13-18)17(21)16-6-4-15(5-7-16)10-22-3/h4-7,14H,8-13H2,1-3H3
InChIKeyZMDXMVMYTQOMHX-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone (CID 131691593) is [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone is COCc1ccc(C(=O)N2CC3(CCN(C(C)C)C3)C2)cc1.
What is the InChIKey of [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
The InChIKey is ZMDXMVMYTQOMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)19-9-8-18(11-19)12-20(13-18)17(21)16-6-4-15(5-7-16)10-22-3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone?
[4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenyl]-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131691593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).