4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride

C11H16ClN3O3 — CID 119264091

IUPAC4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
SMILESCc1c(NC(=O)CCCN)cccc1[N+](=O)[O-].Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8-9(13-11(15)6-3-7-12)4-2-5-10(8)14(16)17;/h2,4-5H,3,6-7,12H2,1H3,(H,13,15);1H
InChIKeyVJJZHTWWAHMTGL-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.00
Rot. Bonds5

About 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride

4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride (PubChem CID 119264091) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
PubChem CID119264091
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
SMILESCc1c(NC(=O)CCCN)cccc1[N+](=O)[O-].Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8-9(13-11(15)6-3-7-12)4-2-5-10(8)14(16)17;/h2,4-5H,3,6-7,12H2,1H3,(H,13,15);1H
InChIKeyVJJZHTWWAHMTGL-UHFFFAOYSA-N
XLogP2.00
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.00
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

4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
(2-methyl-3-nitrophenyl)urea
CID 22416531
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 2547725
3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 890273
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide
CID 29354387
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 110906774
2-phenylethyl 4-(2-methyl-3-nitroanilino)-4-oxobutanoate
CID 4946731
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9394683

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride (CID 119264091) is 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride is Cc1c(NC(=O)CCCN)cccc1[N+](=O)[O-].Cl.
What is the InChIKey of 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride?
The InChIKey is VJJZHTWWAHMTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c1-8-9(13-11(15)6-3-7-12)4-2-5-10(8)14(16)17;/h2,4-5H,3,6-7,12H2,1H3,(H,13,15);1H.
What are the key properties of 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride?
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119264091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).