2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide

C13H19N3O3 — CID 63062439

IUPAC2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-10(2)15-13(17)9-14-8-7-11-5-3-4-6-12(11)16(18)19/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyVUFBSEMSUOOWPH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.25
Rot. Bonds7

About 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide

2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 63062439) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide
PubChem CID63062439
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-10(2)15-13(17)9-14-8-7-11-5-3-4-6-12(11)16(18)19/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyVUFBSEMSUOOWPH-UHFFFAOYSA-N
XLogP1.25
TPSA84.27 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 ≤ 51.25
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

2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2-nitrophenyl)acetate
CID 7832920
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904
(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
ethyl-[(2-nitrophenyl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792715
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
3-[(2-methyl-3-nitrophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115586544
3-[2-(2-nitrophenyl)ethylamino]propanamide
CID 55146808
2-[(5-chloro-2-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 78998709
2-[(2-chloro-6-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 63745631
3-[(2-fluoro-3-nitrophenyl)methylamino]-N-propan-2-ylpropanamide
CID 107349417

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide (CID 63062439) is 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is VUFBSEMSUOOWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(2)15-13(17)9-14-8-7-11-5-3-4-6-12(11)16(18)19/h3-6,10,14H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide?
2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 265.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 63062439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).