N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide

C15H22N2O2 — CID 79382747

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCNC2C)cc1
InChIInChI=1S/C15H22N2O2/c1-11-14(8-10-16-11)15(18)17-9-7-12-3-5-13(19-2)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyNPMKOKZHCPRJGJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.35
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79382747) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79382747
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCNC2C)cc1
InChIInChI=1S/C15H22N2O2/c1-11-14(8-10-16-11)15(18)17-9-7-12-3-5-13(19-2)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyNPMKOKZHCPRJGJ-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6R)-6-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 737691
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131447
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
(3S,4S)-4-[4-(4-methoxyphenyl)butanoyl]-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 160762514
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110648512
N-[2-(2-methoxyphenyl)ethyl]-2-methylpiperidine-3-carboxamide
CID 106261503
N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
CID 71926113

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide (CID 79382747) is N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCNC2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is NPMKOKZHCPRJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-14(8-10-16-11)15(18)17-9-7-12-3-5-13(19-2)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79382747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).