N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

C14H21ClN2O2 — CID 119670703

IUPACN-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2(C)CCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-3-18-12-6-4-11(5-7-12)16-13(17)14(2)8-9-15-10-14;/h4-7,15H,3,8-10H2,1-2H3,(H,16,17);1H
InChIKeyRMKWSPXJUOTBHZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.45
Rot. Bonds4

About N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119670703) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119670703
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2(C)CCNC2)cc1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-3-18-12-6-4-11(5-7-12)16-13(17)14(2)8-9-15-10-14;/h4-7,15H,3,8-10H2,1-2H3,(H,16,17);1H
InChIKeyRMKWSPXJUOTBHZ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 63139631
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944287
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
CID 119946458
N-(4-ethoxy-3-fluorophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944880
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119670703) is N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is CCOc1ccc(NC(=O)C2(C)CCNC2)cc1.Cl.
What is the InChIKey of N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RMKWSPXJUOTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-3-18-12-6-4-11(5-7-12)16-13(17)14(2)8-9-15-10-14;/h4-7,15H,3,8-10H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119670703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).