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

C15H22N2O2 — CID 55229579

IUPACN-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CNCC2C)c1
InChIInChI=1S/C15H22N2O2/c1-10-8-16-9-14(10)15(18)17-11(2)12-5-4-6-13(7-12)19-3/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyOGIUPUPVEULMHX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.73
Rot. Bonds4

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

N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 55229579) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID55229579
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CNCC2C)c1
InChIInChI=1S/C15H22N2O2/c1-10-8-16-9-14(10)15(18)17-11(2)12-5-4-6-13(7-12)19-3/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyOGIUPUPVEULMHX-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
trans-(1R,2R)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716098
cis-(1R,2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716099
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978075
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[1-(2-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228822
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63714822
2-amino-N-[1-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64823175
N-[(1R)-1-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81373141
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81349399
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81373074
(2R,5S)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945502

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (CID 55229579) is N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is COc1cccc(C(C)NC(=O)C2CNCC2C)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is OGIUPUPVEULMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-16-9-14(10)15(18)17-11(2)12-5-4-6-13(7-12)19-3/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55229579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).