[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone

C17H18N2O5 — CID 97317232

IUPAC[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc([C@H]2COCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H18N2O5/c1-11-3-5-13(9-14(11)19(21)22)17(20)18-7-8-23-10-15(18)16-6-4-12(2)24-16/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m1/s1
InChIKeyHLHJDDPJBKHFLS-OAHLLOKOSA-N
MW330.34 g/mol
LogP3.02
Rot. Bonds3

About [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone

[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone (PubChem CID 97317232) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
PubChem CID97317232
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc([C@H]2COCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H18N2O5/c1-11-3-5-13(9-14(11)19(21)22)17(20)18-7-8-23-10-15(18)16-6-4-12(2)24-16/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m1/s1
InChIKeyHLHJDDPJBKHFLS-OAHLLOKOSA-N
XLogP3.02
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 4104154
2-[3-(5-methylfuran-2-yl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 120976917
(4-methyl-3-nitrophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 90564135
[3-(methylamino)-4-nitrophenyl]-(3-methylmorpholin-4-yl)methanone
CID 62680319
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 81213777
2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one
CID 97071367
(3-ethylmorpholin-4-yl)-(4-fluoro-3-nitrophenyl)methanone
CID 43613168
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 102787401
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 90564523
4-(4-ethoxy-3-nitrobenzoyl)morpholine-3-carboxylic acid
CID 119216524
[2-(1-aminoethyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119436534
[2-(chloromethyl)azepan-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 116639063

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The IUPAC name of [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone (CID 97317232) is [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone.
What is the SMILES notation for [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The canonical SMILES for [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone is Cc1ccc([C@H]2COCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)o1.
What is the InChIKey of [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The InChIKey is HLHJDDPJBKHFLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11-3-5-13(9-14(11)19(21)22)17(20)18-7-8-23-10-15(18)16-6-4-12(2)24-16/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
[(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone has a molecular weight of 330.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-methylfuran-2-yl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone is sourced from PubChem (CID 97317232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).