[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone

C18H25N5O3 — CID 126804442

IUPAC[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
SMILESCCCC1(COC)CCCN1C(=O)c1ccc(OC)c(-n2cnnn2)c1
InChIInChI=1S/C18H25N5O3/c1-4-8-18(12-25-2)9-5-10-22(18)17(24)14-6-7-16(26-3)15(11-14)23-13-19-20-21-23/h6-7,11,13H,4-5,8-10,12H2,1-3H3
InChIKeyZAZVOASYWVHJIF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.09
Rot. Bonds7

About [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone

[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 126804442) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
PubChem CID126804442
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
SMILESCCCC1(COC)CCCN1C(=O)c1ccc(OC)c(-n2cnnn2)c1
InChIInChI=1S/C18H25N5O3/c1-4-8-18(12-25-2)9-5-10-22(18)17(24)14-6-7-16(26-3)15(11-14)23-13-19-20-21-23/h6-7,11,13H,4-5,8-10,12H2,1-3H3
InChIKeyZAZVOASYWVHJIF-UHFFFAOYSA-N
XLogP2.09
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone (CID 126804442) is [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone is CCCC1(COC)CCCN1C(=O)c1ccc(OC)c(-n2cnnn2)c1.
What is the InChIKey of [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is ZAZVOASYWVHJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-4-8-18(12-25-2)9-5-10-22(18)17(24)14-6-7-16(26-3)15(11-14)23-13-19-20-21-23/h6-7,11,13H,4-5,8-10,12H2,1-3H3.
What are the key properties of [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
[2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 359.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 126804442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).