1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide

C26H25N3O4 — CID 164940233

IUPAC1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESNC(=O)c1ccc2nc3c(cc2c1[C@H](CC=O)c1ccc(N2CCOC2=O)cc1)CCCC3
InChIInChI=1S/C26H25N3O4/c27-25(31)20-9-10-23-21(15-17-3-1-2-4-22(17)28-23)24(20)19(11-13-30)16-5-7-18(8-6-16)29-12-14-33-26(29)32/h5-10,13,15,19H,1-4,11-12,14H2,(H2,27,31)/t19-/m1/s1
InChIKeyCJRKJOHAQGOYGO-LJQANCHMSA-N
MW443.50 g/mol
LogP3.89
Rot. Bonds6

About 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide

1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide (PubChem CID 164940233) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide.

Molecular Properties

Compound Name1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
PubChem CID164940233
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESNC(=O)c1ccc2nc3c(cc2c1[C@H](CC=O)c1ccc(N2CCOC2=O)cc1)CCCC3
InChIInChI=1S/C26H25N3O4/c27-25(31)20-9-10-23-21(15-17-3-1-2-4-22(17)28-23)24(20)19(11-13-30)16-5-7-18(8-6-16)29-12-14-33-26(29)32/h5-10,13,15,19H,1-4,11-12,14H2,(H2,27,31)/t19-/m1/s1
InChIKeyCJRKJOHAQGOYGO-LJQANCHMSA-N
XLogP3.89
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-3-oxo-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 164940241
5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155319967
4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55686568
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 175895706
(7S)-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 167186220
2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6-carboxylic acid
CID 159154945
4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide
CID 71061364
(7S)-N-[(3R)-3-(4-hydroxypiperidin-1-yl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 155319902
7-(dichloromethyl)-1,2,3,4-tetrahydroacridine
CID 150632643
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
(E)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-enoic acid
CID 115342398
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 83568678

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide?
The IUPAC name of 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide (CID 164940233) is 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide.
What is the SMILES notation for 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide?
The canonical SMILES for 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide is NC(=O)c1ccc2nc3c(cc2c1[C@H](CC=O)c1ccc(N2CCOC2=O)cc1)CCCC3.
What is the InChIKey of 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide?
The InChIKey is CJRKJOHAQGOYGO-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25N3O4/c27-25(31)20-9-10-23-21(15-17-3-1-2-4-22(17)28-23)24(20)19(11-13-30)16-5-7-18(8-6-16)29-12-14-33-26(29)32/h5-10,13,15,19H,1-4,11-12,14H2,(H2,27,31)/t19-/m1/s1.
What are the key properties of 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide?
1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl]-5,6,7,8-tetrahydroacridine-2-carboxamide is sourced from PubChem (CID 164940233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).