2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide

C14H19N3O4 — CID 115679005

IUPAC2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H19N3O4/c1-16(8-10-4-3-7-21-9-10)14(18)11-5-2-6-12(13(11)15)17(19)20/h2,5-6,10H,3-4,7-9,15H2,1H3
InChIKeyFUQXTJWXERKCNQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide

2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide (PubChem CID 115679005) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide
PubChem CID115679005
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H19N3O4/c1-16(8-10-4-3-7-21-9-10)14(18)11-5-2-6-12(13(11)15)17(19)20/h2,5-6,10H,3-4,7-9,15H2,1H3
InChIKeyFUQXTJWXERKCNQ-UHFFFAOYSA-N
XLogP1.68
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 115878724
2-amino-N-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351335
2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 105386353
2-chloro-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115931070
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107353064
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide (CID 115679005) is 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide is CN(CC1CCCOC1)C(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is FUQXTJWXERKCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(8-10-4-3-7-21-9-10)14(18)11-5-2-6-12(13(11)15)17(19)20/h2,5-6,10H,3-4,7-9,15H2,1H3.
What are the key properties of 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide?
2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 115679005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).