4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide

C14H19N3O3 — CID 115766672

IUPAC4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NC(C)C2CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-9(10-4-3-5-10)16-12-7-6-11(14(18)15-2)8-13(12)17(19)20/h6-10,16H,3-5H2,1-2H3,(H,15,18)
InChIKeyIUMSVLKAHRTYLM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.55
Rot. Bonds5

About 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide

4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide (PubChem CID 115766672) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
PubChem CID115766672
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NC(C)C2CCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-9(10-4-3-5-10)16-12-7-6-11(14(18)15-2)8-13(12)17(19)20/h6-10,16H,3-5H2,1-2H3,(H,15,18)
InChIKeyIUMSVLKAHRTYLM-UHFFFAOYSA-N
XLogP2.55
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 82990994
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
[4-(1-cyclobutylethylamino)-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133417899
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
N-methyl-4-(1-methylsulfanylpropan-2-ylamino)-3-nitrobenzamide
CID 115637675
4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-methyl-3-nitrobenzamide
CID 78969756
4-(4-hydroxybutan-2-ylamino)-N-methyl-3-nitrobenzamide
CID 78997172
N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide
CID 78983634
4-[[1-(1-hydroxyethyl)cyclopropyl]amino]-N-methyl-3-nitrobenzamide
CID 166243705
3-(1-cyclopentylethylamino)-4-nitrobenzamide
CID 82995881
4-(1-methoxypropan-2-ylamino)-N-methyl-3-nitrobenzamide
CID 78977308

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide (CID 115766672) is 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(NC(C)C2CCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide?
The InChIKey is IUMSVLKAHRTYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(10-4-3-5-10)16-12-7-6-11(14(18)15-2)8-13(12)17(19)20/h6-10,16H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide?
4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 115766672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).