2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone

C18H20N2O3 — CID 142825299

IUPAC2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCc1cccc(CC(=O)c2c[nH]c(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H20N2O3/c1-13-3-2-4-14(9-13)10-17(21)15-11-16(19-12-15)18(22)20-5-7-23-8-6-20/h2-4,9,11-12,19H,5-8,10H2,1H3
InChIKeyQXEASNMXLRYSGM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.22
Rot. Bonds4

About 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone

2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 142825299) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID142825299
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCc1cccc(CC(=O)c2c[nH]c(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H20N2O3/c1-13-3-2-4-14(9-13)10-17(21)15-11-16(19-12-15)18(22)20-5-7-23-8-6-20/h2-4,9,11-12,19H,5-8,10H2,1H3
InChIKeyQXEASNMXLRYSGM-UHFFFAOYSA-N
XLogP2.22
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)phenyl]propan-2-one
CID 157123651
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
2-[(3-methylphenyl)methoxy]-1-morpholin-4-ylethanone
CID 173269942
[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
CID 119060897
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
2-(3-methylphenyl)-N-[1-[3-(morpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 117079181
2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17405936
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853478
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 142825299) is 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone is Cc1cccc(CC(=O)c2c[nH]c(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is QXEASNMXLRYSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-3-2-4-14(9-13)10-17(21)15-11-16(19-12-15)18(22)20-5-7-23-8-6-20/h2-4,9,11-12,19H,5-8,10H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone?
2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[5-(morpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 142825299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).