[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C20H33N3O3 — CID 91922000

IUPAC[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOCCn1c(C)cc(C(=O)N2CC(COC)C3(CCNCC3)C2)c1C
InChIInChI=1S/C20H33N3O3/c1-15-11-18(16(2)23(15)9-10-25-3)19(24)22-12-17(13-26-4)20(14-22)5-7-21-8-6-20/h11,17,21H,5-10,12-14H2,1-4H3
InChIKeyMIAZEQPVNCNUDI-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.84
Rot. Bonds6

About [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 91922000) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID91922000
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOCCn1c(C)cc(C(=O)N2CC(COC)C3(CCNCC3)C2)c1C
InChIInChI=1S/C20H33N3O3/c1-15-11-18(16(2)23(15)9-10-25-3)19(24)22-12-17(13-26-4)20(14-22)5-7-21-8-6-20/h11,17,21H,5-10,12-14H2,1-4H3
InChIKeyMIAZEQPVNCNUDI-UHFFFAOYSA-N
XLogP1.84
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 91922000) is [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is COCCn1c(C)cc(C(=O)N2CC(COC)C3(CCNCC3)C2)c1C.
What is the InChIKey of [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is MIAZEQPVNCNUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-15-11-18(16(2)23(15)9-10-25-3)19(24)22-12-17(13-26-4)20(14-22)5-7-21-8-6-20/h11,17,21H,5-10,12-14H2,1-4H3.
What are the key properties of [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 363.50 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 91922000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).