N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119830716

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)C1CCNC1)N1CCCC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-23-17-7-3-2-6-15(17)16(21-10-4-5-11-21)13-20-18(22)14-8-9-19-12-14;;/h2-3,6-7,14,16,19H,4-5,8-13H2,1H3,(H,20,22);2*1H
InChIKeyBGNCUMVLHDQFME-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119830716) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119830716
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)C1CCNC1)N1CCCC1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-23-17-7-3-2-6-15(17)16(21-10-4-5-11-21)13-20-18(22)14-8-9-19-12-14;;/h2-3,6-7,14,16,19H,4-5,8-13H2,1H3,(H,20,22);2*1H
InChIKeyBGNCUMVLHDQFME-UHFFFAOYSA-N
XLogP2.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631303
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
CID 119829732
(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120937945
4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride
CID 120639874
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 119293173
(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 95761647
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43044922
4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 120639875
1-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55559888
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 78888436

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119830716) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride is COc1ccccc1C(CNC(=O)C1CCNC1)N1CCCC1.Cl.Cl.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is BGNCUMVLHDQFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-23-17-7-3-2-6-15(17)16(21-10-4-5-11-21)13-20-18(22)14-8-9-19-12-14;;/h2-3,6-7,14,16,19H,4-5,8-13H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119830716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).