(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone

C14H19N3O4 — CID 62169101

IUPAC(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone
SMILESCCC1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1NC
InChIInChI=1S/C14H19N3O4/c1-3-10-9-21-7-6-16(10)14(18)12-8-11(17(19)20)4-5-13(12)15-2/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyDUJXUNYFMNNCLS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.89
Rot. Bonds4

About (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone

(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone (PubChem CID 62169101) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone
PubChem CID62169101
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone
SMILESCCC1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1NC
InChIInChI=1S/C14H19N3O4/c1-3-10-9-21-7-6-16(10)14(18)12-8-11(17(19)20)4-5-13(12)15-2/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyDUJXUNYFMNNCLS-UHFFFAOYSA-N
XLogP1.89
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.89
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'}

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Related Compounds

(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
(3-ethylmorpholin-4-yl)-(3-hydrazinyl-2-nitrophenyl)methanone
CID 115549366
(2-chloro-3-nitrophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 115930941
[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 62170445
(2-amino-5-nitrophenyl)-(3-methylmorpholin-4-yl)methanone
CID 62059334
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
(3-ethylmorpholin-4-yl)-(4-fluoro-3-nitrophenyl)methanone
CID 43613168
[2-(methylamino)-5-nitrophenyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62181229
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate
CID 7752227
(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
4-[[2-(methylamino)-5-nitrophenyl]methyl]morpholine-3-carboxamide
CID 83099097

Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone (CID 62169101) is (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone is CCC1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1NC.
What is the InChIKey of (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone?
The InChIKey is DUJXUNYFMNNCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-10-9-21-7-6-16(10)14(18)12-8-11(17(19)20)4-5-13(12)15-2/h4-5,8,10,15H,3,6-7,9H2,1-2H3.
What are the key properties of (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone?
(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone has a molecular weight of 293.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone is sourced from PubChem (CID 62169101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).