5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide

C14H20N4O3 — CID 105420369

IUPAC5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
SMILESCN(C)C1(CNC(=O)c2cc(N)ccc2[N+](=O)[O-])CCC1
InChIInChI=1S/C14H20N4O3/c1-17(2)14(6-3-7-14)9-16-13(19)11-8-10(15)4-5-12(11)18(20)21/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19)
InChIKeyVIACCBPKZNVXLH-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.39
Rot. Bonds5

About 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide

5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide (PubChem CID 105420369) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
PubChem CID105420369
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
SMILESCN(C)C1(CNC(=O)c2cc(N)ccc2[N+](=O)[O-])CCC1
InChIInChI=1S/C14H20N4O3/c1-17(2)14(6-3-7-14)9-16-13(19)11-8-10(15)4-5-12(11)18(20)21/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19)
InChIKeyVIACCBPKZNVXLH-UHFFFAOYSA-N
XLogP1.39
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
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

4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-methyl-4-nitrobenzamide
CID 16960831
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
5-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62642033
5-amino-N-ethyl-N-methyl-2-nitrobenzamide
CID 62154758
5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide
CID 105420168
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
CID 105413811
5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
CID 79873334
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-nitrobenzamide
CID 62159589
5-chloro-N-[(1-methylcyclohexyl)methyl]-2-nitrobenzamide
CID 103753259
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-nitrobenzamide
CID 119404114
5-amino-N-(3-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 62161624

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide?
The IUPAC name of 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide (CID 105420369) is 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide is CN(C)C1(CNC(=O)c2cc(N)ccc2[N+](=O)[O-])CCC1.
What is the InChIKey of 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide?
The InChIKey is VIACCBPKZNVXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17(2)14(6-3-7-14)9-16-13(19)11-8-10(15)4-5-12(11)18(20)21/h4-5,8H,3,6-7,9,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide?
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide is sourced from PubChem (CID 105420369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).