4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide

C14H19N3O4 — CID 103888209

IUPAC4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)NC2CCOC(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-7-11(5-6-21-9)16-14(18)10-3-4-12(15-2)13(8-10)17(19)20/h3-4,8-9,11,15H,5-7H2,1-2H3,(H,16,18)
InChIKeyRBJSQCGXZRDXBD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds4

About 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide

4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide (PubChem CID 103888209) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
PubChem CID103888209
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)NC2CCOC(C)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-7-11(5-6-21-9)16-14(18)10-3-4-12(15-2)13(8-10)17(19)20/h3-4,8-9,11,15H,5-7H2,1-2H3,(H,16,18)
InChIKeyRBJSQCGXZRDXBD-UHFFFAOYSA-N
XLogP1.93
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
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

4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 115670988
4-[(2-methyloxan-4-yl)amino]-3-nitrobenzamide
CID 103889115
N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide
CID 103082472
4-[(2-cyclopropyloxan-4-yl)amino]-N-methyl-3-nitrobenzamide
CID 133473610
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide
CID 99703380
4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
2-amino-N-(2-methyloxan-4-yl)-5-nitrobenzamide
CID 102977113
4-(ethylamino)-N-(2-methyloxolan-3-yl)-3-nitrobenzamide
CID 82728855
2-amino-5-fluoro-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103889482
4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide
CID 154862046

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide?
The IUPAC name of 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide (CID 103888209) is 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide?
The canonical SMILES for 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide is CNc1ccc(C(=O)NC2CCOC(C)C2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide?
The InChIKey is RBJSQCGXZRDXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-7-11(5-6-21-9)16-14(18)10-3-4-12(15-2)13(8-10)17(19)20/h3-4,8-9,11,15H,5-7H2,1-2H3,(H,16,18).
What are the key properties of 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide?
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide is sourced from PubChem (CID 103888209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).