N-(2-morpholin-4-ylethyl)-2-nitrobenzamide

C13H17N3O4 — CID 743298

IUPACN-(2-morpholin-4-ylethyl)-2-nitrobenzamide
SMILESO=C(NCCN1CCOCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O4/c17-13(11-3-1-2-4-12(11)16(18)19)14-5-6-15-7-9-20-10-8-15/h1-4H,5-10H2,(H,14,17)
InChIKeySZHWVQCYJDQNFP-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.66
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-nitrobenzamide

N-(2-morpholin-4-ylethyl)-2-nitrobenzamide (PubChem CID 743298) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-nitrobenzamide
PubChem CID743298
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN-(2-morpholin-4-ylethyl)-2-nitrobenzamide
SMILESO=C(NCCN1CCOCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O4/c17-13(11-3-1-2-4-12(11)16(18)19)14-5-6-15-7-9-20-10-8-15/h1-4H,5-10H2,(H,14,17)
InChIKeySZHWVQCYJDQNFP-UHFFFAOYSA-N
XLogP0.66
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
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

2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
Morpholino(4-nitrophenyl)methanone
CID 220838
4-Morpholineacetamide, N-(2-((phenylamino)carbonyl)phenyl)-
CID 217304
2-nitro-N-(2-phenylethyl)benzamide
CID 720792
2-(Morpholine-4-carbonyl)aniline
CID 726276
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
(4-Methylpiperazin-1-yl)(2-nitrophenyl)methanone
CID 686511
4-chloro-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
CID 755229
1-(Morpholin-4-yl)-2-(2-nitrophenyl)ethan-1-one
CID 827569
N-[2-(4-morpholinylcarbonyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2211921
8-(2-Nitrobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2970489
(3-Methyl-4-nitrophenyl)(morpholin-4-yl)methanone
CID 777806

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-nitrobenzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-nitrobenzamide (CID 743298) is N-(2-morpholin-4-ylethyl)-2-nitrobenzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-nitrobenzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-nitrobenzamide is O=C(NCCN1CCOCC1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-nitrobenzamide?
The InChIKey is SZHWVQCYJDQNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-13(11-3-1-2-4-12(11)16(18)19)14-5-6-15-7-9-20-10-8-15/h1-4H,5-10H2,(H,14,17).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-nitrobenzamide?
N-(2-morpholin-4-ylethyl)-2-nitrobenzamide has a molecular weight of 279.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-nitrobenzamide is sourced from PubChem (CID 743298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).