N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide

C14H19N3O3 — CID 115936543

IUPACN-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide
SMILESCNc1c(C(=O)N(C)C(C)C2CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9(10-7-8-10)16(3)14(18)11-5-4-6-12(17(19)20)13(11)15-2/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyDXNAEEPOGLCRNA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.51
Rot. Bonds5

About N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide

N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide (PubChem CID 115936543) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide
PubChem CID115936543
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide
SMILESCNc1c(C(=O)N(C)C(C)C2CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-9(10-7-8-10)16(3)14(18)11-5-4-6-12(17(19)20)13(11)15-2/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyDXNAEEPOGLCRNA-UHFFFAOYSA-N
XLogP2.51
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
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'}

Analyze N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)benzamide
CID 61375904
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(methylamino)-3-nitrobenzamide
CID 115936858
N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide
CID 4522146
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
CID 112580635
N-(1-cyclopropylethyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121820
1-(1-cyclopropylethyl)-1-methyl-3-[2-(2-nitrophenyl)ethyl]urea
CID 71867771
N-[2-(dimethylamino)ethyl]-2-(methylamino)-3-nitrobenzamide
CID 112580559
2-amino-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-3-nitrobenzamide
CID 99775382
N-(2-cyanoethyl)-2-(methylamino)-3-nitro-N-propan-2-ylbenzamide
CID 115936674
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
CID 62242335
[2-(methylamino)-3-nitrophenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 112580603

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide (CID 115936543) is N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide is CNc1c(C(=O)N(C)C(C)C2CC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide?
The InChIKey is DXNAEEPOGLCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(10-7-8-10)16(3)14(18)11-5-4-6-12(17(19)20)13(11)15-2/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide?
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide is sourced from PubChem (CID 115936543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).