N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide

C18H27N3O4 — CID 24646123

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
SMILESCC1CN(C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC(C)O1
InChIInChI=1S/C18H27N3O4/c1-13-10-20(11-14(2)25-13)18(3,4)12-19-17(22)9-15-7-5-6-8-16(15)21(23)24/h5-8,13-14H,9-12H2,1-4H3,(H,19,22)
InChIKeyVRQSPMOSOIOQLB-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide (PubChem CID 24646123) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
PubChem CID24646123
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
SMILESCC1CN(C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC(C)O1
InChIInChI=1S/C18H27N3O4/c1-13-10-20(11-14(2)25-13)18(3,4)12-19-17(22)9-15-7-5-6-8-16(15)21(23)24/h5-8,13-14H,9-12H2,1-4H3,(H,19,22)
InChIKeyVRQSPMOSOIOQLB-UHFFFAOYSA-N
XLogP2.14
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.14
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

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 29295157
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 876656
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide
CID 25442066
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide
CID 103843631
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-2-(2-nitrophenyl)acetamide
CID 26863026
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide
CID 78883459
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-phenoxyacetamide
CID 29298053
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 42934547
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38202597
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide (CID 24646123) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide is CC1CN(C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is VRQSPMOSOIOQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-10-20(11-14(2)25-13)18(3,4)12-19-17(22)9-15-7-5-6-8-16(15)21(23)24/h5-8,13-14H,9-12H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 24646123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).