(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone

C20H23NO4 — CID 826425

IUPAC(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-23-17-12-16(20(22)21-10-6-7-11-21)13-18(24-2)19(17)25-14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3
InChIKeySCOXGRYHKIQBGW-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.52
Rot. Bonds6

About (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone

(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 826425) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID826425
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCOc1cc(C(=O)N2CCCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-23-17-12-16(20(22)21-10-6-7-11-21)13-18(24-2)19(17)25-14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3
InChIKeySCOXGRYHKIQBGW-UHFFFAOYSA-N
XLogP3.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
CID 56511756
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949947
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119412235
N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 24547474
1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119355480
(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 2302016
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 120804131
2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55456082
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
N-[5-methoxy-2-phenyl-6-phenylmethoxy-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 18534720

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone (CID 826425) is (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone is COc1cc(C(=O)N2CCCC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is SCOXGRYHKIQBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-12-16(20(22)21-10-6-7-11-21)13-18(24-2)19(17)25-14-15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3.
What are the key properties of (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone?
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 826425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).