cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone

C18H25NO2 — CID 110411484

IUPACcyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(CC2CCCN2C(=O)C2CCC2)cc1C
InChIInChI=1S/C18H25NO2/c1-13-11-14(8-9-17(13)21-2)12-16-7-4-10-19(16)18(20)15-5-3-6-15/h8-9,11,15-16H,3-7,10,12H2,1-2H3
InChIKeyPUEALDWDBIXDEA-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.34
Rot. Bonds4

About cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone

cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110411484) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110411484
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Namecyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(CC2CCCN2C(=O)C2CCC2)cc1C
InChIInChI=1S/C18H25NO2/c1-13-11-14(8-9-17(13)21-2)12-16-7-4-10-19(16)18(20)15-5-3-6-15/h8-9,11,15-16H,3-7,10,12H2,1-2H3
InChIKeyPUEALDWDBIXDEA-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 110357875
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 110607827
2-(4-methoxy-3-methylphenyl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46981954
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55897655
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
tert-butyl 2-[(3-amino-4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 82279506
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55898300
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3-bromo-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119632046
1-[4-[2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110661755
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-bromo-4-methoxyphenyl)propan-1-one
CID 119467261

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone (CID 110411484) is cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone is COc1ccc(CC2CCCN2C(=O)C2CCC2)cc1C.
What is the InChIKey of cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is PUEALDWDBIXDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-11-14(8-9-17(13)21-2)12-16-7-4-10-19(16)18(20)15-5-3-6-15/h8-9,11,15-16H,3-7,10,12H2,1-2H3.
What are the key properties of cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone?
cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 287.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110411484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).