(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone

C14H18N2O5 — CID 103800414

IUPAC(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H18N2O5/c1-3-10-8-21-9(2)7-15(10)14(18)11-5-4-6-12(13(11)17)16(19)20/h4-6,9-10,17H,3,7-8H2,1-2H3
InChIKeyXRRXRMGIFVESNF-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.94
Rot. Bonds3

About (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone

(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone (PubChem CID 103800414) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone.

Molecular Properties

Compound Name(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone
PubChem CID103800414
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H18N2O5/c1-3-10-8-21-9(2)7-15(10)14(18)11-5-4-6-12(13(11)17)16(19)20/h4-6,9-10,17H,3,7-8H2,1-2H3
InChIKeyXRRXRMGIFVESNF-UHFFFAOYSA-N
XLogP1.94
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
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'}

Analyze (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 115930981
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 106501494
2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 63614082
(5-ethyl-2-methylmorpholin-4-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107721
(2-chloro-3-nitrophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 115930941
(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103600035
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103746374
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone?
The IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone (CID 103800414) is (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone.
What is the SMILES notation for (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone?
The canonical SMILES for (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone is CCC1COC(C)CN1C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone?
The InChIKey is XRRXRMGIFVESNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-10-8-21-9(2)7-15(10)14(18)11-5-4-6-12(13(11)17)16(19)20/h4-6,9-10,17H,3,7-8H2,1-2H3.
What are the key properties of (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone?
(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone has a molecular weight of 294.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone is sourced from PubChem (CID 103800414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).