N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide

C15H22N2O2 — CID 79385324

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCNC2C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(12-4-6-13(19-3)7-5-12)17-15(18)14-8-9-16-11(14)2/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyDEBGKJCOKIPSGG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79385324) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79385324
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2CCNC2C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(12-4-6-13(19-3)7-5-12)17-15(18)14-8-9-16-11(14)2/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyDEBGKJCOKIPSGG-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 79388581
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 79378638
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79378615
6-[1-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17262888
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81360733
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79378610
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81363570
2-amino-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197001
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide (CID 79385324) is N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide is COc1ccc(C(C)NC(=O)C2CCNC2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is DEBGKJCOKIPSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(12-4-6-13(19-3)7-5-12)17-15(18)14-8-9-16-11(14)2/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79385324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).