N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide

C14H19N3O5 — CID 888968

IUPACN-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
SMILESO=C(NC[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O5/c18-13(10-16-5-7-22-8-6-16)9-15-14(19)11-1-3-12(4-2-11)17(20)21/h1-4,13,18H,5-10H2,(H,15,19)/t13-/m1/s1
InChIKeyZUWYGHLCRAXRNF-CYBMUJFWSA-N
MW309.32 g/mol
LogP0.02
Rot. Bonds6

About N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide

N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide (PubChem CID 888968) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
PubChem CID888968
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
SMILESO=C(NC[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O5/c18-13(10-16-5-7-22-8-6-16)9-15-14(19)11-1-3-12(4-2-11)17(20)21/h1-4,13,18H,5-10H2,(H,15,19)/t13-/m1/s1
InChIKeyZUWYGHLCRAXRNF-CYBMUJFWSA-N
XLogP0.02
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzamide
CID 110887236
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111112812
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
(2S,3S)-3-hydroxy-2-(morpholin-4-ylmethyl)-3-(4-nitrophenyl)propanenitrile
CID 94796317
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
4-(dimethylamino)-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444459
N-(2-hydroxy-3-morpholin-4-ylpropyl)indolizine-1-carboxamide
CID 154766043
4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide (CID 888968) is N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide is O=C(NC[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide?
The InChIKey is ZUWYGHLCRAXRNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O5/c18-13(10-16-5-7-22-8-6-16)9-15-14(19)11-1-3-12(4-2-11)17(20)21/h1-4,13,18H,5-10H2,(H,15,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide?
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide has a molecular weight of 309.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide is sourced from PubChem (CID 888968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).