[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone

C21H25NO2 — CID 152601566

IUPAC[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone
SMILESCCN1CCCC1COc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-3-22-14-4-5-19(22)15-24-20-12-10-18(11-13-20)21(23)17-8-6-16(2)7-9-17/h6-13,19H,3-5,14-15H2,1-2H3
InChIKeyYXQLNXJCZGYQQJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.09
Rot. Bonds6

About [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone

[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone (PubChem CID 152601566) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone
PubChem CID152601566
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone
SMILESCCN1CCCC1COc1ccc(C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-3-22-14-4-5-19(22)15-24-20-12-10-18(11-13-20)21(23)17-8-6-16(2)7-9-17/h6-13,19H,3-5,14-15H2,1-2H3
InChIKeyYXQLNXJCZGYQQJ-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine
CID 169188321
(4-bromophenyl)-[4-[(1-butylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151929620
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
tert-butyl 2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 68999157
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
(4-chlorophenyl)-[4-[(1-cyclopentylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151731311
N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
CID 50846453
N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
(4-bromophenyl)-[4-[(1-cycloheptylpyrrolidin-2-yl)methoxy]phenyl]methanone
CID 151788965
4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
4-butoxy-N-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoethyl]benzamide
CID 60589470
4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638

Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone (CID 152601566) is [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone is CCN1CCCC1COc1ccc(C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone?
The InChIKey is YXQLNXJCZGYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-22-14-4-5-19(22)15-24-20-12-10-18(11-13-20)21(23)17-8-6-16(2)7-9-17/h6-13,19H,3-5,14-15H2,1-2H3.
What are the key properties of [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone?
[4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone has a molecular weight of 323.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 152601566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).