1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

C23H29NO4 — CID 26818280

IUPAC1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)COc2c(C)cc(C)cc2C)c(OC)c1
InChIInChI=1S/C23H29NO4/c1-15-11-16(2)23(17(3)12-15)28-14-22(25)24-10-6-7-20(24)19-9-8-18(26-4)13-21(19)27-5/h8-9,11-13,20H,6-7,10,14H2,1-5H3/t20-/m1/s1
InChIKeyQFJJXBSTBQSGQO-HXUWFJFHSA-N
MW383.49 g/mol
LogP4.37
Rot. Bonds6

About 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone (PubChem CID 26818280) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
PubChem CID26818280
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)COc2c(C)cc(C)cc2C)c(OC)c1
InChIInChI=1S/C23H29NO4/c1-15-11-16(2)23(17(3)12-15)28-14-22(25)24-10-6-7-20(24)19-9-8-18(26-4)13-21(19)27-5/h8-9,11-13,20H,6-7,10,14H2,1-5H3/t20-/m1/s1
InChIKeyQFJJXBSTBQSGQO-HXUWFJFHSA-N
XLogP4.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 46636671
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
CID 128963558
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 55565941
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 51255954
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(2,5-dimethylpyrrol-1-yl)propan-1-one
CID 124879737
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 42026214
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
7-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 26817511
6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 126768105

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone?
The IUPAC name of 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone (CID 26818280) is 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone?
The canonical SMILES for 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone is COc1ccc([C@H]2CCCN2C(=O)COc2c(C)cc(C)cc2C)c(OC)c1.
What is the InChIKey of 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone?
The InChIKey is QFJJXBSTBQSGQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29NO4/c1-15-11-16(2)23(17(3)12-15)28-14-22(25)24-10-6-7-20(24)19-9-8-18(26-4)13-21(19)27-5/h8-9,11-13,20H,6-7,10,14H2,1-5H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone?
1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone has a molecular weight of 383.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone is sourced from PubChem (CID 26818280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).