N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

C22H29ClN2O2 — CID 119813208

IUPACN-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCNC1)C(C)c1ccc(-c2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-4-24(22(25)20-12-13-23-15-20)16(2)17-8-10-18(11-9-17)19-6-5-7-21(14-19)26-3;/h5-11,14,16,20,23H,4,12-13,15H2,1-3H3;1H
InChIKeyOUVDGCWNJZCNNQ-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.30
Rot. Bonds6

About N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119813208) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119813208
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC NameN-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCNC1)C(C)c1ccc(-c2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-4-24(22(25)20-12-13-23-15-20)16(2)17-8-10-18(11-9-17)19-6-5-7-21(14-19)26-3;/h5-11,14,16,20,23H,4,12-13,15H2,1-3H3;1H
InChIKeyOUVDGCWNJZCNNQ-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795793
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119709145
N-ethyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 60947943
N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 75807755
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119329896
2-(aminomethyl)-N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119813202
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119813208) is N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is CCN(C(=O)C1CCNC1)C(C)c1ccc(-c2cccc(OC)c2)cc1.Cl.
What is the InChIKey of N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is OUVDGCWNJZCNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.ClH/c1-4-24(22(25)20-12-13-23-15-20)16(2)17-8-10-18(11-9-17)19-6-5-7-21(14-19)26-3;/h5-11,14,16,20,23H,4,12-13,15H2,1-3H3;1H.
What are the key properties of N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119813208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).