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

C11H15N3O3 — CID 43649478

IUPAC2-amino-N-(4-methyl-3-nitrophenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-3-9(12)11(15)13-8-5-4-7(2)10(6-8)14(16)17/h4-6,9H,3,12H2,1-2H3,(H,13,15)
InChIKeySMZACYIZYHROPJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.58
Rot. Bonds4

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

2-amino-N-(4-methyl-3-nitrophenyl)butanamide (PubChem CID 43649478) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-3-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-3-nitrophenyl)butanamide
PubChem CID43649478
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-N-(4-methyl-3-nitrophenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-3-9(12)11(15)13-8-5-4-7(2)10(6-8)14(16)17/h4-6,9H,3,12H2,1-2H3,(H,13,15)
InChIKeySMZACYIZYHROPJ-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

2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
2-amino-N-(4-methyl-3-nitrophenyl)-4-methylsulfonylbutanamide
CID 43101338
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide
CID 81071699
2,3-dimethyl-4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid
CID 103496212
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)butanamide
CID 104815291
5-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023087
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
N-(4-methyl-3-nitrophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60553956
ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
CID 143201282
2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-3-nitrophenyl)butanamide?
The IUPAC name of 2-amino-N-(4-methyl-3-nitrophenyl)butanamide (CID 43649478) is 2-amino-N-(4-methyl-3-nitrophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(4-methyl-3-nitrophenyl)butanamide?
The canonical SMILES for 2-amino-N-(4-methyl-3-nitrophenyl)butanamide is CCC(N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-(4-methyl-3-nitrophenyl)butanamide?
The InChIKey is SMZACYIZYHROPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-9(12)11(15)13-8-5-4-7(2)10(6-8)14(16)17/h4-6,9H,3,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(4-methyl-3-nitrophenyl)butanamide?
2-amino-N-(4-methyl-3-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-(4-methyl-3-nitrophenyl)butanamide is sourced from PubChem (CID 43649478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).