N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide

C13H19N3O3 — CID 65191595

IUPACN-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide
SMILESCCCC(CN)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-2-5-11(9-14)15-13(17)8-10-6-3-4-7-12(10)16(18)19/h3-4,6-7,11H,2,5,8-9,14H2,1H3,(H,15,17)
InChIKeySVCJLIKBJBXEOM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.38
Rot. Bonds7

About N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide

N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide (PubChem CID 65191595) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide
PubChem CID65191595
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide
SMILESCCCC(CN)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-2-5-11(9-14)15-13(17)8-10-6-3-4-7-12(10)16(18)19/h3-4,6-7,11H,2,5,8-9,14H2,1H3,(H,15,17)
InChIKeySVCJLIKBJBXEOM-UHFFFAOYSA-N
XLogP1.38
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.38
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-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65192594
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
methyl (2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[2-(2-nitrophenyl)acetyl]amino]acetate
CID 134130744
N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 65190802
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide
CID 103843631
N-(1-aminohexan-2-yl)-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119667896
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide
CID 87749363

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide (CID 65191595) is N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide is CCCC(CN)NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide?
The InChIKey is SVCJLIKBJBXEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-5-11(9-14)15-13(17)8-10-6-3-4-7-12(10)16(18)19/h3-4,6-7,11H,2,5,8-9,14H2,1H3,(H,15,17).
What are the key properties of N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide?
N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 65191595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).