3-methyl-N-(3-nitrophenyl)butanamide

C11H14N2O3 — CID 4312967

IUPAC3-methyl-N-(3-nitrophenyl)butanamide
SMILESCC(C)CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O3/c1-8(2)6-11(14)12-9-4-3-5-10(7-9)13(15)16/h3-5,7-8H,6H2,1-2H3,(H,12,14)
InChIKeyQNHUZFLDLNBJGY-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.58
Rot. Bonds4

About 3-methyl-N-(3-nitrophenyl)butanamide

3-methyl-N-(3-nitrophenyl)butanamide (PubChem CID 4312967) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-methyl-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-nitrophenyl)butanamide
PubChem CID4312967
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-methyl-N-(3-nitrophenyl)butanamide
SMILESCC(C)CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O3/c1-8(2)6-11(14)12-9-4-3-5-10(7-9)13(15)16/h3-5,7-8H,6H2,1-2H3,(H,12,14)
InChIKeyQNHUZFLDLNBJGY-UHFFFAOYSA-N
XLogP2.58
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
(2R)-2-(3-methylbutylamino)-4-(3-nitroanilino)-4-oxobutanoic acid
CID 2206631
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N-[4-(3-nitroanilino)-4-oxobutan-2-yl]benzamide
CID 51194826
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
3-(2-methylpropoxy)-N-(3-nitrophenyl)propanamide
CID 38966621
3-methyl-N-[(1R)-2,2,2-trichloro-1-(3-nitroanilino)ethyl]butanamide
CID 2302536
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid
CID 3821512
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
[2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate
CID 2358702

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-nitrophenyl)butanamide?
The IUPAC name of 3-methyl-N-(3-nitrophenyl)butanamide (CID 4312967) is 3-methyl-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(3-nitrophenyl)butanamide?
The canonical SMILES for 3-methyl-N-(3-nitrophenyl)butanamide is CC(C)CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-methyl-N-(3-nitrophenyl)butanamide?
The InChIKey is QNHUZFLDLNBJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(2)6-11(14)12-9-4-3-5-10(7-9)13(15)16/h3-5,7-8H,6H2,1-2H3,(H,12,14).
What are the key properties of 3-methyl-N-(3-nitrophenyl)butanamide?
3-methyl-N-(3-nitrophenyl)butanamide has a molecular weight of 222.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 4312967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).