(4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone

C15H20N2O4 — CID 118370997

IUPAC(4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-15(2,3)11-4-5-12(13(10-11)17(19)20)14(18)16-6-8-21-9-7-16/h4-5,10H,6-9H2,1-3H3
InChIKeyDYSMKDCATOWJBD-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.36
Rot. Bonds2

About (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone

(4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone (PubChem CID 118370997) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone
PubChem CID118370997
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-15(2,3)11-4-5-12(13(10-11)17(19)20)14(18)16-6-8-21-9-7-16/h4-5,10H,6-9H2,1-3H3
InChIKeyDYSMKDCATOWJBD-UHFFFAOYSA-N
XLogP2.36
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.36
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

2-(4-tert-butyl-2-nitrophenoxy)-1-morpholin-4-ylethanone
CID 57292963
1-(4-tert-butyl-2-nitrophenyl)ethanone
CID 3490198
(2-methyl-3,5-dinitrophenyl)-morpholin-4-ylmethanone
CID 3642904
(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
CID 70099135
1-[2-nitro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylic acid
CID 119166123
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethyl)anilino]propan-1-one
CID 78777112
1-(4-morpholin-4-yl-2-nitrophenyl)ethanone
CID 104529500
(4-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
CID 874551
azepan-1-yl-(4-fluoro-2-nitrophenyl)methanone
CID 115692646
morpholin-4-yl-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanone
CID 2900925
[2-(1-aminoethyl)morpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 115737892

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone (CID 118370997) is (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone is CC(C)(C)c1ccc(C(=O)N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone?
The InChIKey is DYSMKDCATOWJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)11-4-5-12(13(10-11)17(19)20)14(18)16-6-8-21-9-7-16/h4-5,10H,6-9H2,1-3H3.
What are the key properties of (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone?
(4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone has a molecular weight of 292.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-nitrophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 118370997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).