2-amino-N-(5-methyl-2-nitrophenyl)butanamide

C11H15N3O3 — CID 112557726

IUPAC2-amino-N-(5-methyl-2-nitrophenyl)butanamide
SMILESCCC(N)C(=O)Nc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-3-8(12)11(15)13-9-6-7(2)4-5-10(9)14(16)17/h4-6,8H,3,12H2,1-2H3,(H,13,15)
InChIKeyWFZXPYPXCRYLHM-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-N-(5-methyl-2-nitrophenyl)butanamide

2-amino-N-(5-methyl-2-nitrophenyl)butanamide (PubChem CID 112557726) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-2-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-2-nitrophenyl)butanamide
PubChem CID112557726
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-N-(5-methyl-2-nitrophenyl)butanamide
SMILESCCC(N)C(=O)Nc1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-3-8(12)11(15)13-9-6-7(2)4-5-10(9)14(16)17/h4-6,8H,3,12H2,1-2H3,(H,13,15)
InChIKeyWFZXPYPXCRYLHM-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
2-(aminomethyl)-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 115912619
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)butanamide
CID 104815291
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329
2-amino-N-(5-chloro-2-nitrophenyl)pentanamide
CID 43703652
1-butyl-3-(5-methyl-2-nitrophenyl)urea
CID 116657565
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
(2S)-2-amino-4-(5-methyl-2-nitroanilino)butanoic acid
CID 10491077
2-(aminomethyl)-2-ethyl-N-(5-methyl-2-nitrophenyl)butanamide
CID 115912622
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-2-nitrophenyl)butanamide?
The IUPAC name of 2-amino-N-(5-methyl-2-nitrophenyl)butanamide (CID 112557726) is 2-amino-N-(5-methyl-2-nitrophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(5-methyl-2-nitrophenyl)butanamide?
The canonical SMILES for 2-amino-N-(5-methyl-2-nitrophenyl)butanamide is CCC(N)C(=O)Nc1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(5-methyl-2-nitrophenyl)butanamide?
The InChIKey is WFZXPYPXCRYLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-8(12)11(15)13-9-6-7(2)4-5-10(9)14(16)17/h4-6,8H,3,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(5-methyl-2-nitrophenyl)butanamide?
2-amino-N-(5-methyl-2-nitrophenyl)butanamide has a molecular weight of 237.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-2-nitrophenyl)butanamide is sourced from PubChem (CID 112557726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).