(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone

C21H32N2O3 — CID 154757977

IUPAC(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone
SMILESCCN(C)C1CCN(C(=O)c2ccc(OC)cc2OC2CCCCC2)C1
InChIInChI=1S/C21H32N2O3/c1-4-22(2)16-12-13-23(15-16)21(24)19-11-10-18(25-3)14-20(19)26-17-8-6-5-7-9-17/h10-11,14,16-17H,4-9,12-13,15H2,1-3H3
InChIKeyRTOQWWHBDFCVFH-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.57
Rot. Bonds6

About (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone

(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone (PubChem CID 154757977) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone
PubChem CID154757977
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone
SMILESCCN(C)C1CCN(C(=O)c2ccc(OC)cc2OC2CCCCC2)C1
InChIInChI=1S/C21H32N2O3/c1-4-22(2)16-12-13-23(15-16)21(24)19-11-10-18(25-3)14-20(19)26-17-8-6-5-7-9-17/h10-11,14,16-17H,4-9,12-13,15H2,1-3H3
InChIKeyRTOQWWHBDFCVFH-UHFFFAOYSA-N
XLogP3.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083
[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42392064
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 30773707
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[4-methoxy-2-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72896336
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
[4-methoxy-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72929364
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-methoxy-2-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26409730
[2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 126448401

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone (CID 154757977) is (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone is CCN(C)C1CCN(C(=O)c2ccc(OC)cc2OC2CCCCC2)C1.
What is the InChIKey of (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is RTOQWWHBDFCVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-22(2)16-12-13-23(15-16)21(24)19-11-10-18(25-3)14-20(19)26-17-8-6-5-7-9-17/h10-11,14,16-17H,4-9,12-13,15H2,1-3H3.
What are the key properties of (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone?
(2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 360.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxy-4-methoxyphenyl)-[3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154757977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).