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

C14H19N3O4 — CID 803386

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-11-10-12(2-3-13(11)17(19)20)14(18)15-4-5-16-6-8-21-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,18)
InChIKeyBEKMMZYSRNTJAV-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.97
Rot. Bonds5

About 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide

3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide (PubChem CID 803386) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
PubChem CID803386
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-11-10-12(2-3-13(11)17(19)20)14(18)15-4-5-16-6-8-21-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,18)
InChIKeyBEKMMZYSRNTJAV-UHFFFAOYSA-N
XLogP0.97
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.97
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide (CID 803386) is 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide is Cc1cc(C(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
The InChIKey is BEKMMZYSRNTJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-11-10-12(2-3-13(11)17(19)20)14(18)15-4-5-16-6-8-21-9-7-16/h2-3,10H,4-9H2,1H3,(H,15,18).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide?
3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide is sourced from PubChem (CID 803386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).