2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone

C17H25N3O2 — CID 119899571

IUPAC2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccc(N)cc2)CC1N1CCOCC1
InChIInChI=1S/C17H25N3O2/c1-13-11-20(12-16(13)19-6-8-22-9-7-19)17(21)10-14-2-4-15(18)5-3-14/h2-5,13,16H,6-12,18H2,1H3
InChIKeyGOSPBOVFNMLSSX-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.99
Rot. Bonds3

About 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone

2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone (PubChem CID 119899571) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
PubChem CID119899571
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccc(N)cc2)CC1N1CCOCC1
InChIInChI=1S/C17H25N3O2/c1-13-11-20(12-16(13)19-6-8-22-9-7-19)17(21)10-14-2-4-15(18)5-3-14/h2-5,13,16H,6-12,18H2,1H3
InChIKeyGOSPBOVFNMLSSX-UHFFFAOYSA-N
XLogP0.99
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]phenyl] acetate
CID 124882838
3-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 119899615
2-(4-aminophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 103530140
2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 91764658
1-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-2-(4-aminophenyl)ethanone;hydrochloride
CID 119803623
2-(4-aminophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 122080587
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 91770233
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 100837733
(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 119899591
2-(4-aminophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102954923
2-[1-[2-(4-aminophenyl)acetyl]azetidin-3-yl]propanoic acid
CID 116682357

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone (CID 119899571) is 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone is CC1CN(C(=O)Cc2ccc(N)cc2)CC1N1CCOCC1.
What is the InChIKey of 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone?
The InChIKey is GOSPBOVFNMLSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-11-20(12-16(13)19-6-8-22-9-7-19)17(21)10-14-2-4-15(18)5-3-14/h2-5,13,16H,6-12,18H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone?
2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone has a molecular weight of 303.41 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 119899571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).