N-(2-aminoethyl)-2-(2-nitroanilino)acetamide

C10H14N4O3 — CID 119384296

IUPACN-(2-aminoethyl)-2-(2-nitroanilino)acetamide
SMILESNCCNC(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c11-5-6-12-10(15)7-13-8-3-1-2-4-9(8)14(16)17/h1-4,13H,5-7,11H2,(H,12,15)
InChIKeyMFSBNYFZSRKHCK-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.08
Rot. Bonds6

About N-(2-aminoethyl)-2-(2-nitroanilino)acetamide

N-(2-aminoethyl)-2-(2-nitroanilino)acetamide (PubChem CID 119384296) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-nitroanilino)acetamide
PubChem CID119384296
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(2-aminoethyl)-2-(2-nitroanilino)acetamide
SMILESNCCNC(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c11-5-6-12-10(15)7-13-8-3-1-2-4-9(8)14(16)17/h1-4,13H,5-7,11H2,(H,12,15)
InChIKeyMFSBNYFZSRKHCK-UHFFFAOYSA-N
XLogP0.08
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-2-(2-nitroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-nitroanilino)-N-propylacetamide
CID 43398638
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
N-(3-hydroxybutyl)-2-(2-nitroanilino)acetamide
CID 111433406
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
2-(2-nitroanilino)-N-prop-2-ynylacetamide
CID 47401063
N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide
CID 120826811
2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536497
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
CID 110000865
N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide
CID 119383783
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide
CID 119382687
2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557911
N-(2-aminoethyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119382686

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-nitroanilino)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2-nitroanilino)acetamide (CID 119384296) is N-(2-aminoethyl)-2-(2-nitroanilino)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-nitroanilino)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2-nitroanilino)acetamide is NCCNC(=O)CNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminoethyl)-2-(2-nitroanilino)acetamide?
The InChIKey is MFSBNYFZSRKHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-5-6-12-10(15)7-13-8-3-1-2-4-9(8)14(16)17/h1-4,13H,5-7,11H2,(H,12,15).
What are the key properties of N-(2-aminoethyl)-2-(2-nitroanilino)acetamide?
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide has a molecular weight of 238.25 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-nitroanilino)acetamide is sourced from PubChem (CID 119384296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).