methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate

C14H16N2O7 — CID 22636380

IUPACmethyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H16N2O7/c1-21-13(17)9-23-12-8-10(2-3-11(12)16(19)20)14(18)15-4-6-22-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyPORFYTDHNTVUGK-UHFFFAOYSA-N
MW324.29 g/mol
LogP0.62
Rot. Bonds5

About methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate

methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate (PubChem CID 22636380) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate
PubChem CID22636380
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Namemethyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate
SMILESCOC(=O)COc1cc(C(=O)N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H16N2O7/c1-21-13(17)9-23-12-8-10(2-3-11(12)16(19)20)14(18)15-4-6-22-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyPORFYTDHNTVUGK-UHFFFAOYSA-N
XLogP0.62
TPSA108.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-chloro-4-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 82780556
[4-(3-methylbutylsulfanyl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 112762926
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 104784729
(4-aminopiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119374691
(4-hydroxyiminopiperidin-1-yl)-(3-methoxy-4-nitrophenyl)methanone
CID 104783452
[4-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 119518681
N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
CID 31815932
tert-butyl 4-(3-methoxy-4-nitrobenzoyl)piperazine-1-carboxylate
CID 86725397
[4-[(1-ethylcyclopropyl)methylamino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133338332
(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
CID 70099135
(4-methylpiperazin-1-yl)-(4-nitro-3-propan-2-yloxyphenyl)methanone
CID 118286407

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate?
The IUPAC name of methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate (CID 22636380) is methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate.
What is the SMILES notation for methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate?
The canonical SMILES for methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate is COC(=O)COc1cc(C(=O)N2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate?
The InChIKey is PORFYTDHNTVUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O7/c1-21-13(17)9-23-12-8-10(2-3-11(12)16(19)20)14(18)15-4-6-22-7-5-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate?
methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate has a molecular weight of 324.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(morpholine-4-carbonyl)-2-nitrophenoxy]acetate is sourced from PubChem (CID 22636380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).