N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C19H28N2O2 — CID 86876553

IUPACN-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)NCCC3CCCC3)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-8-6-16(7-9-18)17-11-13-21(14-17)19(22)20-12-10-15-4-2-3-5-15/h6-9,15,17H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyQTLZSGRYIFKPRU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.77
Rot. Bonds5

About N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 86876553) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID86876553
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCN(C(=O)NCCC3CCCC3)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-23-18-8-6-16(7-9-18)17-11-13-21(14-17)19(22)20-12-10-15-4-2-3-5-15/h6-9,15,17H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyQTLZSGRYIFKPRU-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
2-cyclopentyl-N-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95351155
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
N-tert-butyl-3-(4-methoxyphenyl)azepane-1-carboxamide
CID 121147168
3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide
CID 121147192
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide
CID 111731071
N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide
CID 121147120
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
3-(4-methoxyphenyl)-N'-methyl-N-[2-(oxolan-2-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111731377

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 86876553) is N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCN(C(=O)NCCC3CCCC3)C2)cc1.
What is the InChIKey of N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is QTLZSGRYIFKPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-18-8-6-16(7-9-18)17-11-13-21(14-17)19(22)20-12-10-15-4-2-3-5-15/h6-9,15,17H,2-5,10-14H2,1H3,(H,20,22).
What are the key properties of N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86876553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).