1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one

C17H26N2O2 — CID 63207477

IUPAC1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
SMILESCOc1ccc(C(=O)C(C)N(C)CCN2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(18(2)12-13-19-10-4-5-11-19)17(20)15-6-8-16(21-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyRKKRAXKPSAYBCJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one

1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one (PubChem CID 63207477) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
PubChem CID63207477
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
SMILESCOc1ccc(C(=O)C(C)N(C)CCN2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14(18(2)12-13-19-10-4-5-11-19)17(20)15-6-8-16(21-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyRKKRAXKPSAYBCJ-UHFFFAOYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207733
2-[2-methoxyethyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 61427604
2-(4-methoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]ethanol
CID 111434925
2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1-phenylbutan-1-one
CID 63207872
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
CID 3064490
2-[[1-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 60681805
(2S)-2-(4-methoxy-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
CID 97200558
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
4-[2-(4-methoxybenzoyl)-6-piperidin-1-ylhexanoyl]benzaldehyde
CID 143530558
2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 138398889

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one (CID 63207477) is 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one is COc1ccc(C(=O)C(C)N(C)CCN2CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
The InChIKey is RKKRAXKPSAYBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(18(2)12-13-19-10-4-5-11-19)17(20)15-6-8-16(21-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one?
1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one is sourced from PubChem (CID 63207477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).