(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone

C18H24N2O3 — CID 136547093

IUPAC(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
SMILESCCC1CN(C(=O)C2CCCN2C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C18H24N2O3/c1-3-13-11-19(12-13)18(22)16-5-4-10-20(16)17(21)14-6-8-15(23-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyOVBDWZWKXCHNBW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.17
Rot. Bonds4

About (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone

(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone (PubChem CID 136547093) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
PubChem CID136547093
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
SMILESCCC1CN(C(=O)C2CCCN2C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C18H24N2O3/c1-3-13-11-19(12-13)18(22)16-5-4-10-20(16)17(21)14-6-8-15(23-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyOVBDWZWKXCHNBW-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110394976
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
CID 119380930
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
(2S)-1-(3,5-dimethoxybenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071507
(2S)-1-(4-methoxybenzenecarbothioyl)pyrrolidine-2-carboxylic acid
CID 102501932
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019

Frequently Asked Questions

What is the IUPAC name of (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone (CID 136547093) is (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone is CCC1CN(C(=O)C2CCCN2C(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone?
The InChIKey is OVBDWZWKXCHNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-13-11-19(12-13)18(22)16-5-4-10-20(16)17(21)14-6-8-15(23-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone?
(3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone has a molecular weight of 316.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylazetidin-1-yl)-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 136547093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).