2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide

C14H19N3O4 — CID 115878724

IUPAC2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H19N3O4/c1-16(9-10-5-7-21-8-6-10)14(18)11-3-2-4-12(13(11)15)17(19)20/h2-4,10H,5-9,15H2,1H3
InChIKeyUKFRYQCZJDOQOO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide

2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide (PubChem CID 115878724) 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-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide
PubChem CID115878724
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H19N3O4/c1-16(9-10-5-7-21-8-6-10)14(18)11-3-2-4-12(13(11)15)17(19)20/h2-4,10H,5-9,15H2,1H3
InChIKeyUKFRYQCZJDOQOO-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-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
2-amino-N-(cyclohexylmethyl)-N-methyl-3-nitrobenzamide
CID 115678607
2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115679005
2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
2-bromo-N-methyl-5-nitro-N-(oxan-4-ylmethyl)benzamide
CID 63712474
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(methylamino)-3-nitrobenzamide
CID 115936858
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103543140
N-[(2-amino-3-nitrophenyl)methyl]-N-methyloxan-4-amine
CID 107350901
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63707773
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-nitrobenzamide
CID 79832037

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide (CID 115878724) is 2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is UKFRYQCZJDOQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(9-10-5-7-21-8-6-10)14(18)11-3-2-4-12(13(11)15)17(19)20/h2-4,10H,5-9,15H2,1H3.
What are the key properties of 2-amino-N-methyl-3-nitro-N-(oxan-4-ylmethyl)benzamide?
2-amino-N-methyl-3-nitro-N-(oxan-4-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-4-ylmethyl)benzamide is sourced from PubChem (CID 115878724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).