N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride

C13H17ClN3O5- — CID 53351842

IUPACN-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride
SMILESO=C(CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1O.[Cl-]
InChIInChI=1S/C13H17N3O5.ClH/c17-12-2-1-11(16(19)20)7-10(12)8-14-13(18)9-15-3-5-21-6-4-15;/h1-2,7,17H,3-6,8-9H2,(H,14,18);1H/p-1
InChIKeyHRTQVSQKGVGWAB-UHFFFAOYSA-M
MW330.75 g/mol
LogP-2.75
Rot. Bonds5

About N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride

N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride (PubChem CID 53351842) has the molecular formula C13H17ClN3O5- and a molecular weight of 330.75 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride
PubChem CID53351842
Molecular FormulaC13H17ClN3O5-
Molecular Weight330.75 g/mol
Exact Mass330.09
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride
SMILESO=C(CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1O.[Cl-]
InChIInChI=1S/C13H17N3O5.ClH/c17-12-2-1-11(16(19)20)7-10(12)8-14-13(18)9-15-3-5-21-6-4-15;/h1-2,7,17H,3-6,8-9H2,(H,14,18);1H/p-1
InChIKeyHRTQVSQKGVGWAB-UHFFFAOYSA-M
XLogP-2.75
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 5-2.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9155167
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 134021384
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-propylsulfanylacetamide
CID 47051897
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064453
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-nitrophenyl)urea
CID 24626912
2-[(acridin-9-ylamino)methyl]-4-nitrophenol
CID 45103228
N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 46521650
2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride
CID 138396721
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride (CID 53351842) is N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride is O=C(CN1CCOCC1)NCc1cc([N+](=O)[O-])ccc1O.[Cl-].
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride?
The InChIKey is HRTQVSQKGVGWAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17N3O5.ClH/c17-12-2-1-11(16(19)20)7-10(12)8-14-13(18)9-15-3-5-21-6-4-15;/h1-2,7,17H,3-6,8-9H2,(H,14,18);1H/p-1.
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride?
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride has a molecular weight of 330.75 g/mol, XLogP of -2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride is sourced from PubChem (CID 53351842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).