1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one

C19H20N2O4 — CID 53415708

IUPAC1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one
SMILESO=C(CCc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O4/c22-19(9-4-15-2-1-3-18(14-15)21(23)24)16-5-7-17(8-6-16)20-10-12-25-13-11-20/h1-3,5-8,14H,4,9-13H2
InChIKeyPAPQRXWSYZRNOB-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one

1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one (PubChem CID 53415708) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one
PubChem CID53415708
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one
SMILESO=C(CCc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O4/c22-19(9-4-15-2-1-3-18(14-15)21(23)24)16-5-7-17(8-6-16)20-10-12-25-13-11-20/h1-3,5-8,14H,4,9-13H2
InChIKeyPAPQRXWSYZRNOB-UHFFFAOYSA-N
XLogP3.25
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.25
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

1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one
CID 134815876
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
1-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)propan-1-one
CID 53415495
(3-nitrophenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate
CID 3948921
3-morpholin-4-ylaniline;4-(3-nitrophenyl)morpholine
CID 159730458
4-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]phenol
CID 36839446
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
CID 6073510
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 4282035
1-[3-(3-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356438
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one (CID 53415708) is 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one is O=C(CCc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one?
The InChIKey is PAPQRXWSYZRNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-19(9-4-15-2-1-3-18(14-15)21(23)24)16-5-7-17(8-6-16)20-10-12-25-13-11-20/h1-3,5-8,14H,4,9-13H2.
What are the key properties of 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one?
1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one has a molecular weight of 340.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one is sourced from PubChem (CID 53415708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).