4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride

C11H16ClN3O3 — CID 119670737

IUPAC4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-12-7-3-6-11(15)13-9-4-2-5-10(8-9)14(16)17;/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,15);1H
InChIKeyAVXNBLXXOLXBMI-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.95
Rot. Bonds6

About 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride

4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride (PubChem CID 119670737) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
PubChem CID119670737
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-12-7-3-6-11(15)13-9-4-2-5-10(8-9)14(16)17;/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,15);1H
InChIKeyAVXNBLXXOLXBMI-UHFFFAOYSA-N
XLogP1.95
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide
CID 9070894
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
potassium trifluoro-[3-(3-nitroanilino)-3-oxopropyl]boranuide
CID 171150748
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-(3-ethylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119787006
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
3-(2-methylpropoxy)-N-(3-nitrophenyl)propanamide
CID 38966621

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride (CID 119670737) is 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride is CNCCCC(=O)Nc1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride?
The InChIKey is AVXNBLXXOLXBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c1-12-7-3-6-11(15)13-9-4-2-5-10(8-9)14(16)17;/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,15);1H.
What are the key properties of 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride?
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119670737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).