N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide

C17H26N2O2 — CID 63139806

IUPACN-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2(CC)CCNC2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-17(10-11-18-12-17)16(20)19-13(3)14-6-8-15(9-7-14)21-5-2/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyAIAOIADGDOWDSM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide

N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63139806) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID63139806
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)C2(CC)CCNC2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-17(10-11-18-12-17)16(20)19-13(3)14-6-8-15(9-7-14)21-5-2/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyAIAOIADGDOWDSM-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide
CID 63139566
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63141842
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128584
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide (CID 63139806) is N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide is CCOc1ccc(C(C)NC(=O)C2(CC)CCNC2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is AIAOIADGDOWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(10-11-18-12-17)16(20)19-13(3)14-6-8-15(9-7-14)21-5-2/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).