(4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

C19H20N2O5 — CID 2899800

IUPAC(4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O5/c1-2-26-16-6-3-14(4-7-16)19(22)17-13-15(21(23)24)5-8-18(17)20-9-11-25-12-10-20/h3-8,13H,2,9-12H2,1H3
InChIKeySXULOIABZWPHAM-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.06
Rot. Bonds6

About (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone

(4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone (PubChem CID 2899800) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
PubChem CID2899800
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O5/c1-2-26-16-6-3-14(4-7-16)19(22)17-13-15(21(23)24)5-8-18(17)20-9-11-25-12-10-20/h3-8,13H,2,9-12H2,1H3
InChIKeySXULOIABZWPHAM-UHFFFAOYSA-N
XLogP3.06
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone (CID 2899800) is (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone is CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The InChIKey is SXULOIABZWPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-2-26-16-6-3-14(4-7-16)19(22)17-13-15(21(23)24)5-8-18(17)20-9-11-25-12-10-20/h3-8,13H,2,9-12H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone?
(4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone has a molecular weight of 356.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(2-morpholin-4-yl-5-nitrophenyl)methanone is sourced from PubChem (CID 2899800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).