2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one

C17H26N2O2 — CID 79814213

IUPAC2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-17(18,5-2)16(20)19-12-6-7-15(19)13-8-10-14(21-3)11-9-13/h8-11,15H,4-7,12,18H2,1-3H3
InChIKeyYDOXYPKIKUBULY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.88
Rot. Bonds5

About 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one

2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 79814213) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
PubChem CID79814213
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-17(18,5-2)16(20)19-12-6-7-15(19)13-8-10-14(21-3)11-9-13/h8-11,15H,4-7,12,18H2,1-3H3
InChIKeyYDOXYPKIKUBULY-UHFFFAOYSA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 81082575
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
2-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79813601
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one;hydrochloride
CID 166174195
6-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]hexan-1-one
CID 60936893
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one (CID 79814213) is 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one is CCC(N)(CC)C(=O)N1CCCC1c1ccc(OC)cc1.
What is the InChIKey of 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is YDOXYPKIKUBULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(18,5-2)16(20)19-12-6-7-15(19)13-8-10-14(21-3)11-9-13/h8-11,15H,4-7,12,18H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one?
2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 79814213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).