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

C17H26N2O2 — CID 63139566

IUPAC3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1(CC)CCNC1)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-15(13-6-8-14(21-3)9-7-13)19-16(20)17(5-2)10-11-18-12-17/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyFRLKSQVPYOYKSP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds6

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

3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide (PubChem CID 63139566) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide
PubChem CID63139566
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1(CC)CCNC1)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-15(13-6-8-14(21-3)9-7-13)19-16(20)17(5-2)10-11-18-12-17/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyFRLKSQVPYOYKSP-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-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139555
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63141842
N-[1-(4-methoxyphenyl)propyl]-2-piperidin-4-ylacetamide
CID 61029711
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 31286642
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide (CID 63139566) is 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide is CCC(NC(=O)C1(CC)CCNC1)c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is FRLKSQVPYOYKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-15(13-6-8-14(21-3)9-7-13)19-16(20)17(5-2)10-11-18-12-17/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-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 3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).