(2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one

C22H23NO4 — CID 97254731

IUPAC(2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one
SMILESCOc1ccc(C2=CCN(C(=O)[C@H](C)Oc3cccc(C(C)=O)c3)C2)cc1
InChIInChI=1S/C22H23NO4/c1-15(24)18-5-4-6-21(13-18)27-16(2)22(25)23-12-11-19(14-23)17-7-9-20(26-3)10-8-17/h4-11,13,16H,12,14H2,1-3H3/t16-/m0/s1
InChIKeyIIJURCPOWPWEBD-INIZCTEOSA-N
MW365.43 g/mol
LogP3.59
Rot. Bonds6

About (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one

(2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one (PubChem CID 97254731) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one
PubChem CID97254731
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one
SMILESCOc1ccc(C2=CCN(C(=O)[C@H](C)Oc3cccc(C(C)=O)c3)C2)cc1
InChIInChI=1S/C22H23NO4/c1-15(24)18-5-4-6-21(13-18)27-16(2)22(25)23-12-11-19(14-23)17-7-9-20(26-3)10-8-17/h4-11,13,16H,12,14H2,1-3H3/t16-/m0/s1
InChIKeyIIJURCPOWPWEBD-INIZCTEOSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
(2R)-2-(4-methylphenoxy)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 42280733
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
2-(3-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 55573903
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120817481
(2R)-2-(3-acetylphenoxy)-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
CID 95040653
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622024
2-(4-chlorophenoxy)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544923
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
4-[(2S)-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]oxybenzonitrile
CID 9169383
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279
(2S)-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylpropan-1-one
CID 94029523

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one (CID 97254731) is (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one is COc1ccc(C2=CCN(C(=O)[C@H](C)Oc3cccc(C(C)=O)c3)C2)cc1.
What is the InChIKey of (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one?
The InChIKey is IIJURCPOWPWEBD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15(24)18-5-4-6-21(13-18)27-16(2)22(25)23-12-11-19(14-23)17-7-9-20(26-3)10-8-17/h4-11,13,16H,12,14H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one?
(2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one has a molecular weight of 365.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylphenoxy)-1-[3-(4-methoxyphenyl)-2,5-dihydropyrrol-1-yl]propan-1-one is sourced from PubChem (CID 97254731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).