4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C16H21N3O5 — CID 7378817

IUPAC4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H21N3O5/c20-16(17-11-13-2-1-7-24-13)12-3-4-14(15(10-12)19(21)22)18-5-8-23-9-6-18/h3-4,10,13H,1-2,5-9,11H2,(H,17,20)/t13-/m0/s1
InChIKeyHZLKPRWQDICMMD-ZDUSSCGKSA-N
MW335.36 g/mol
LogP1.34
Rot. Bonds5

About 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 7378817) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID7378817
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H21N3O5/c20-16(17-11-13-2-1-7-24-13)12-3-4-14(15(10-12)19(21)22)18-5-8-23-9-6-18/h3-4,10,13H,1-2,5-9,11H2,(H,17,20)/t13-/m0/s1
InChIKeyHZLKPRWQDICMMD-ZDUSSCGKSA-N
XLogP1.34
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
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

3-nitro-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 15995929
3-nitro-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 46542037
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7923143
4-methylsulfanyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 17395490
N-[(4-benzylmorpholin-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 43006687
4-(4-acetylpiperazin-1-yl)-3-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 55659275
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylsulfanylbenzamide
CID 40623896
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 7378817) is 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is HZLKPRWQDICMMD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O5/c20-16(17-11-13-2-1-7-24-13)12-3-4-14(15(10-12)19(21)22)18-5-8-23-9-6-18/h3-4,10,13H,1-2,5-9,11H2,(H,17,20)/t13-/m0/s1.
What are the key properties of 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 7378817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).