N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide

C16H24N2O2 — CID 79388442

IUPACN-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)C1CCNC1C
InChIInChI=1S/C16H24N2O2/c1-11-13(9-10-17-11)16(19)18(3)12(2)14-7-5-6-8-15(14)20-4/h5-8,11-13,17H,9-10H2,1-4H3
InChIKeyAOCUYZXRYQNPCO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide (PubChem CID 79388442) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
PubChem CID79388442
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)C1CCNC1C
InChIInChI=1S/C16H24N2O2/c1-11-13(9-10-17-11)16(19)18(3)12(2)14-7-5-6-8-15(14)20-4/h5-8,11-13,17H,9-10H2,1-4H3
InChIKeyAOCUYZXRYQNPCO-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388766
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 134054644
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716151
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 47024530
(2S,4S)-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120621637
(3,4-dimethoxyphenyl)-(2-methylpyrrolidin-3-yl)methanone
CID 116592106
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
1-(2-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106623052
(3R)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 81128232
N-[1-(2-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388197

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide (CID 79388442) is N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide is COc1ccccc1C(C)N(C)C(=O)C1CCNC1C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide?
The InChIKey is AOCUYZXRYQNPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-13(9-10-17-11)16(19)18(3)12(2)14-7-5-6-8-15(14)20-4/h5-8,11-13,17H,9-10H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).