N-(2-aminopropyl)-2-methyl-5-nitrobenzamide

C11H15N3O3 — CID 63732523

IUPACN-(2-aminopropyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)N
InChIInChI=1S/C11H15N3O3/c1-7-3-4-9(14(16)17)5-10(7)11(15)13-6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,15)
InChIKeyNRBAXGYCFCNBPJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.98
Rot. Bonds4

About N-(2-aminopropyl)-2-methyl-5-nitrobenzamide

N-(2-aminopropyl)-2-methyl-5-nitrobenzamide (PubChem CID 63732523) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-methyl-5-nitrobenzamide
PubChem CID63732523
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(2-aminopropyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)N
InChIInChI=1S/C11H15N3O3/c1-7-3-4-9(14(16)17)5-10(7)11(15)13-6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,15)
InChIKeyNRBAXGYCFCNBPJ-UHFFFAOYSA-N
XLogP0.98
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.98
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-(2-chloropropyl)-2-methyl-5-nitrobenzamide
CID 114296579
N-(4-bromopentyl)-2-methyl-5-nitrobenzamide
CID 106130549
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-nitrobenzamide;hydrochloride
CID 120509207
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methyl-5-nitrobenzamide
CID 109380854
N-(5-chloro-4-methylpentyl)-2-methyl-5-nitrobenzamide
CID 106156713
2-methyl-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119430057
2-[(2-methyl-5-nitrobenzoyl)amino]propanoic acid
CID 61292265
N-(2-amino-3-hydroxybutyl)-2-fluoro-5-nitrobenzamide
CID 64540596
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-5-nitrobenzamide
CID 103767451
N-(2-aminobutyl)-2-fluoro-5-nitrobenzamide
CID 63731372
3-hydroxy-2-[(2-methyl-5-nitrobenzoyl)amino]propanoic acid
CID 61289814
2-bromo-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 107151855

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-methyl-5-nitrobenzamide?
The IUPAC name of N-(2-aminopropyl)-2-methyl-5-nitrobenzamide (CID 63732523) is N-(2-aminopropyl)-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(2-aminopropyl)-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-(2-aminopropyl)-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-2-methyl-5-nitrobenzamide?
The InChIKey is NRBAXGYCFCNBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-3-4-9(14(16)17)5-10(7)11(15)13-6-8(2)12/h3-5,8H,6,12H2,1-2H3,(H,13,15).
What are the key properties of N-(2-aminopropyl)-2-methyl-5-nitrobenzamide?
N-(2-aminopropyl)-2-methyl-5-nitrobenzamide has a molecular weight of 237.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 63732523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).