cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone

C20H30N2O3 — CID 86779556

IUPACcyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(C)NC2CCN(C(=O)C3CCCC3)C2)c(OC)c1
InChIInChI=1S/C20H30N2O3/c1-14(18-9-8-17(24-2)12-19(18)25-3)21-16-10-11-22(13-16)20(23)15-6-4-5-7-15/h8-9,12,14-16,21H,4-7,10-11,13H2,1-3H3
InChIKeyVTINTJNGDWCKSW-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.15
Rot. Bonds6

About cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone (PubChem CID 86779556) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone
PubChem CID86779556
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Namecyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(C)NC2CCN(C(=O)C3CCCC3)C2)c(OC)c1
InChIInChI=1S/C20H30N2O3/c1-14(18-9-8-17(24-2)12-19(18)25-3)21-16-10-11-22(13-16)20(23)15-6-4-5-7-15/h8-9,12,14-16,21H,4-7,10-11,13H2,1-3H3
InChIKeyVTINTJNGDWCKSW-UHFFFAOYSA-N
XLogP3.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
CID 87004692
cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
CID 97160771
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 75427981
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732
N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
[3-[1-(1,3-benzodioxol-5-yl)ethylamino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 84588722
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
cyclopentyl-[(3R,4R)-3-(2,4-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 93154878
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone (CID 86779556) is cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone is COc1ccc(C(C)NC2CCN(C(=O)C3CCCC3)C2)c(OC)c1.
What is the InChIKey of cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone?
The InChIKey is VTINTJNGDWCKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(18-9-8-17(24-2)12-19(18)25-3)21-16-10-11-22(13-16)20(23)15-6-4-5-7-15/h8-9,12,14-16,21H,4-7,10-11,13H2,1-3H3.
What are the key properties of cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86779556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).