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

C16H24N2O2 — CID 63141842

IUPAC3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccccc2OC)CCNC1
InChIInChI=1S/C16H24N2O2/c1-4-16(9-10-17-11-16)15(19)18-12(2)13-7-5-6-8-14(13)20-3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyIEWHNMBJXQQDRZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds5

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

3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63141842) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63141842
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccccc2OC)CCNC1
InChIInChI=1S/C16H24N2O2/c1-4-16(9-10-17-11-16)15(19)18-12(2)13-7-5-6-8-14(13)20-3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyIEWHNMBJXQQDRZ-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 63129157
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119683042
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597078
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide (CID 63141842) is 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide is CCC1(C(=O)NC(C)c2ccccc2OC)CCNC1.
What is the InChIKey of 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is IEWHNMBJXQQDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-16(9-10-17-11-16)15(19)18-12(2)13-7-5-6-8-14(13)20-3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).