N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide

C19H21N3O4 — CID 2959730

IUPACN-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C19H21N3O4/c1-2-21(16-6-4-3-5-7-16)19(23)15-8-9-17(18(14-15)22(24)25)20-10-12-26-13-11-20/h3-9,14H,2,10-13H2,1H3
InChIKeyADMZRNWGICVHJA-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide

N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide (PubChem CID 2959730) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
PubChem CID2959730
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C19H21N3O4/c1-2-21(16-6-4-3-5-7-16)19(23)15-8-9-17(18(14-15)22(24)25)20-10-12-26-13-11-20/h3-9,14H,2,10-13H2,1H3
InChIKeyADMZRNWGICVHJA-UHFFFAOYSA-N
XLogP3.10
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
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

N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
4-amino-N-ethyl-3-nitro-N-phenylbenzamide
CID 60650996
N-acetyl-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 138624235
N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 110839509
N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide
CID 4277714
N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
CID 2969969
N-[2-(diethylamino)-3-methylbutyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 42957538
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
CID 42905030
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
(2S)-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butanoic acid
CID 100650393
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-phenylbenzamide
CID 2960327
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
CID 18139156

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide?
The IUPAC name of N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide (CID 2959730) is N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide?
The canonical SMILES for N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide is CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide?
The InChIKey is ADMZRNWGICVHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-21(16-6-4-3-5-7-16)19(23)15-8-9-17(18(14-15)22(24)25)20-10-12-26-13-11-20/h3-9,14H,2,10-13H2,1H3.
What are the key properties of N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide?
N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide has a molecular weight of 355.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide is sourced from PubChem (CID 2959730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).