N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide

C20H22N4O5 — CID 2944373

IUPACN-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H22N4O5/c25-19(15-4-3-5-16(14-15)24(27)28)22-18-7-2-1-6-17(18)20(26)21-8-9-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,26)(H,22,25)
InChIKeyNBDNGKWWFGRFKT-UHFFFAOYSA-N
MW398.42 g/mol
LogP1.91
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide

N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide (PubChem CID 2944373) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide
PubChem CID2944373
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC NameN-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H22N4O5/c25-19(15-4-3-5-16(14-15)24(27)28)22-18-7-2-1-6-17(18)20(26)21-8-9-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,26)(H,22,25)
InChIKeyNBDNGKWWFGRFKT-UHFFFAOYSA-N
XLogP1.91
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 51.91
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

4-Morpholineacetamide, N-(2-((phenylamino)carbonyl)phenyl)-
CID 217304
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-nitrobenzamide hydrochloride
CID 14783868
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
3-nitro-N-(2-piperidin-1-ylphenyl)benzamide
CID 960419
N-[2-(4-morpholinylcarbonyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2211921
5-(aziridin-1-yl)-N-(2-morpholin-4-ylethyl)-2,4-dinitrobenzamide
CID 9842042
5-(aziridin-1-yl)-N-(4-morpholin-4-ylbutyl)-2,4-dinitrobenzamide
CID 9865353
5-(aziridin-1-yl)-N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 11383396
[2-(4-Morpholinyl)-5-nitrophenyl](phenyl)methanone
CID 2898037
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-nitrobenzamide
CID 14783866
N-[4-(diethylamino)phenyl]-2-nitrobenzamide
CID 675939
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 743310

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide (CID 2944373) is N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide is O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide?
The InChIKey is NBDNGKWWFGRFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c25-19(15-4-3-5-16(14-15)24(27)28)22-18-7-2-1-6-17(18)20(26)21-8-9-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,26)(H,22,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide?
N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide has a molecular weight of 398.42 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-[(3-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 2944373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).