N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide

C13H17N3O3 — CID 47113861

IUPACN-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NC(C)C1CC1
InChIInChI=1S/C13H17N3O3/c1-8(9-3-4-9)15-13(17)11-7-10(16(18)19)5-6-12(11)14-2/h5-9,14H,3-4H2,1-2H3,(H,15,17)
InChIKeyDISMIGUYGUVWQB-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.16
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide

N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide (PubChem CID 47113861) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
PubChem CID47113861
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NC(C)C1CC1
InChIInChI=1S/C13H17N3O3/c1-8(9-3-4-9)15-13(17)11-7-10(16(18)19)5-6-12(11)14-2/h5-9,14H,3-4H2,1-2H3,(H,15,17)
InChIKeyDISMIGUYGUVWQB-UHFFFAOYSA-N
XLogP2.16
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.16
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-(1-amino-1-oxopropan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 60698893
N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 63837382
2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)-5-nitrobenzamide
CID 115636044
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 18116900
N-[1-(4-bromophenyl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 24544627
N-(1-cyclopropylethyl)-3,5-dinitrobenzamide
CID 47113794
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
2-(methylamino)-N-(1-methylcyclohexyl)-5-nitrobenzamide
CID 62173702
N-(3-cyclopropylpropyl)-2-(methylamino)-5-nitrobenzamide
CID 115635942
N-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-2-methyl-5-nitrobenzamide
CID 176600549

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide (CID 47113861) is N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide?
The InChIKey is DISMIGUYGUVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(9-3-4-9)15-13(17)11-7-10(16(18)19)5-6-12(11)14-2/h5-9,14H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide?
N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 47113861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).