N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C14H21ClN2O2 — CID 119280218

IUPACN-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1cccc(C(C)NC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10(11-5-3-6-12(9-11)18-2)16-14(17)13-7-4-8-15-13;/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3,(H,16,17);1H
InChIKeyFQSBKYBEBPONFG-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119280218) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119280218
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOc1cccc(C(C)NC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-10(11-5-3-6-12(9-11)18-2)16-14(17)13-7-4-8-15-13;/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3,(H,16,17);1H
InChIKeyFQSBKYBEBPONFG-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81373074
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 58739173
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119280218) is N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is COc1cccc(C(C)NC(=O)C2CCCN2)c1.Cl.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FQSBKYBEBPONFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-10(11-5-3-6-12(9-11)18-2)16-14(17)13-7-4-8-15-13;/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119280218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).