1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate

C21H33NO4 — CID 142074454

IUPAC1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate
SMILESCCC1(C)CCN(C(=O)OC)C1.COc1ccccc1OC1CCCC1
InChIInChI=1S/C12H16O2.C9H17NO2/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10;1-4-9(2)5-6-10(7-9)8(11)12-3/h4-5,8-10H,2-3,6-7H2,1H3;4-7H2,1-3H3
InChIKeyXMBUKJHHSHAWRR-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.89
Rot. Bonds4

About 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate

1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate (PubChem CID 142074454) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate
PubChem CID142074454
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Name1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate
SMILESCCC1(C)CCN(C(=O)OC)C1.COc1ccccc1OC1CCCC1
InChIInChI=1S/C12H16O2.C9H17NO2/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10;1-4-9(2)5-6-10(7-9)8(11)12-3/h4-5,8-10H,2-3,6-7H2,1H3;4-7H2,1-3H3
InChIKeyXMBUKJHHSHAWRR-UHFFFAOYSA-N
XLogP4.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 97026017
dimethyl (3S,4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1,3-dicarboxylate
CID 10596608
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
ethylbenzene;methyl (3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine-1-carboxylate
CID 142074393
methyl (3S)-3-(benzamidomethyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate
CID 59885508
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
1-[(2-cyclobutyloxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122002784
propan-2-yl 4-[(2-methoxyphenoxy)methyl]-4-methylazepane-1-carboxylate
CID 142816369
N-(2-cyclohexylethyl)-3-(2-methoxyphenoxy)azetidine-1-carboxamide
CID 122564875
methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate
CID 59885511
methyl (3S,4S)-3-(1-benzoyloxyethyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidine-1-carboxylate
CID 142074508
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate (CID 142074454) is 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate is CCC1(C)CCN(C(=O)OC)C1.COc1ccccc1OC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate?
The InChIKey is XMBUKJHHSHAWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C9H17NO2/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10;1-4-9(2)5-6-10(7-9)8(11)12-3/h4-5,8-10H,2-3,6-7H2,1H3;4-7H2,1-3H3.
What are the key properties of 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate?
1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-2-methoxybenzene;methyl 3-ethyl-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 142074454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).