2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide

C12H15N3O5 — CID 79831809

IUPAC2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCOC(CO)C1
InChIInChI=1S/C12H15N3O5/c16-8-11-7-14(4-5-20-11)12(17)13-9-2-1-3-10(6-9)15(18)19/h1-3,6,11,16H,4-5,7-8H2,(H,13,17)
InChIKeyNGXLZOIDIIIWLR-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.82
Rot. Bonds3

About 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide

2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide (PubChem CID 79831809) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide
PubChem CID79831809
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)N1CCOC(CO)C1
InChIInChI=1S/C12H15N3O5/c16-8-11-7-14(4-5-20-11)12(17)13-9-2-1-3-10(6-9)15(18)19/h1-3,6,11,16H,4-5,7-8H2,(H,13,17)
InChIKeyNGXLZOIDIIIWLR-UHFFFAOYSA-N
XLogP0.82
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
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-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
2-cyano-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 78946196
(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
CID 32840083
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
N-(4-fluoro-3-pyrrol-1-ylphenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71861217
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
2-[1-[(3-nitrophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681624
[2-(hydroxymethyl)morpholin-4-yl]-(4-nitro-1H-pyrrol-2-yl)methanone
CID 79831471
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
CID 60971014
[2-(hydroxymethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104783712
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709
4-(2-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 31771873

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide (CID 79831809) is 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)N1CCOC(CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide?
The InChIKey is NGXLZOIDIIIWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-8-11-7-14(4-5-20-11)12(17)13-9-2-1-3-10(6-9)15(18)19/h1-3,6,11,16H,4-5,7-8H2,(H,13,17).
What are the key properties of 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide?
2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 79831809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).