N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide

C15H21N3O3 — CID 82993069

IUPACN-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
SMILESCNC(=O)c1ccc([N+](=O)[O-])c(NC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-14(2)13(15(14,3)4)17-10-8-9(12(19)16-5)6-7-11(10)18(20)21/h6-8,13,17H,1-5H3,(H,16,19)
InChIKeyUCCNFJSTUGGDQA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.80
Rot. Bonds4

About N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide

N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide (PubChem CID 82993069) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
PubChem CID82993069
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
SMILESCNC(=O)c1ccc([N+](=O)[O-])c(NC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-14(2)13(15(14,3)4)17-10-8-9(12(19)16-5)6-7-11(10)18(20)21/h6-8,13,17H,1-5H3,(H,16,19)
InChIKeyUCCNFJSTUGGDQA-UHFFFAOYSA-N
XLogP2.80
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.80
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

N-methyl-4-nitro-3-(pent-4-ynylamino)benzamide
CID 106222503
N-methyl-3-(2-methylbut-3-yn-2-ylamino)-4-nitrobenzamide
CID 82988873
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide
CID 83026041
3-[(1-amino-2-methylpropan-2-yl)amino]-N-methyl-4-nitrobenzamide
CID 82988408
3-[(2-hydroxy-2-methylbutyl)amino]-N-methyl-4-nitrobenzamide
CID 82988605
3-(6-hydroxyhexylamino)-N-methyl-4-nitrobenzamide
CID 107848870
3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-N-methyl-4-nitrobenzamide
CID 106277693
N-methyl-4-nitro-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 82992823
N-methyl-4-nitro-3-(oxan-4-ylmethylamino)benzamide
CID 82993045
N-methyl-4-nitro-3-(pent-1-yn-3-ylamino)benzamide
CID 106231377
3-[(2-amino-3-hydroxybutyl)amino]-N-methyl-4-nitrobenzamide
CID 82989015

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide?
The IUPAC name of N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide (CID 82993069) is N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide.
What is the SMILES notation for N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide?
The canonical SMILES for N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide is CNC(=O)c1ccc([N+](=O)[O-])c(NC2C(C)(C)C2(C)C)c1.
What is the InChIKey of N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide?
The InChIKey is UCCNFJSTUGGDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-14(2)13(15(14,3)4)17-10-8-9(12(19)16-5)6-7-11(10)18(20)21/h6-8,13,17H,1-5H3,(H,16,19).
What are the key properties of N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide?
N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide has a molecular weight of 291.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide is sourced from PubChem (CID 82993069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).