(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C14H18N2O4 — CID 47432382

IUPAC(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)O1
InChIInChI=1S/C14H18N2O4/c1-10-8-15(9-14(2,3)20-10)13(17)11-4-6-12(7-5-11)16(18)19/h4-7,10H,8-9H2,1-3H3
InChIKeyUTYKPCBJUGSFDD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.23
Rot. Bonds2

About (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 47432382) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID47432382
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)O1
InChIInChI=1S/C14H18N2O4/c1-10-8-15(9-14(2,3)20-10)13(17)11-4-6-12(7-5-11)16(18)19/h4-7,10H,8-9H2,1-3H3
InChIKeyUTYKPCBJUGSFDD-UHFFFAOYSA-N
XLogP2.23
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-amino-4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62681407
[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129366969
(5-amino-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62161116
(3-amino-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 115548782
(3-chloro-2-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 79831111
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
[(3S)-3-methylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 40543994
4-[4-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 48689877
(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688438
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 2247674
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 47432382) is (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)O1.
What is the InChIKey of (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is UTYKPCBJUGSFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-8-15(9-14(2,3)20-10)13(17)11-4-6-12(7-5-11)16(18)19/h4-7,10H,8-9H2,1-3H3.
What are the key properties of (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 278.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 47432382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).