3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride

C11H17ClN4O3 — CID 119272735

IUPAC3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3.ClH/c12-6-5-11(16)14-8-7-13-9-3-1-2-4-10(9)15(17)18;/h1-4,13H,5-8,12H2,(H,14,16);1H
InChIKeyRZOPQIXOSPBWRY-UHFFFAOYSA-N
MW288.73 g/mol
LogP0.89
Rot. Bonds7

About 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride

3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride (PubChem CID 119272735) has the molecular formula C11H17ClN4O3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
PubChem CID119272735
Molecular FormulaC11H17ClN4O3
Molecular Weight288.73 g/mol
Exact Mass288.10
IUPAC Name3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3.ClH/c12-6-5-11(16)14-8-7-13-9-3-1-2-4-10(9)15(17)18;/h1-4,13H,5-8,12H2,(H,14,16);1H
InChIKeyRZOPQIXOSPBWRY-UHFFFAOYSA-N
XLogP0.89
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[2-(2-nitroanilino)ethyl]-3-phenylpropanamide
CID 9278055
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
4-(4-nitroanilino)-N-[2-(2-nitroanilino)ethyl]butanamide
CID 31738306
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
2-(2-fluorophenoxy)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 40717592
2-methyl-N-[2-(2-nitroanilino)ethyl]butanamide
CID 46519537
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
3-(2-nitroanilino)-N-(3-phenoxypropyl)propanamide
CID 51328724
3-(3,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278604
4-(4-ethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]-4-oxobutanamide
CID 26420439
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278957

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride (CID 119272735) is 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride is Cl.NCCC(=O)NCCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride?
The InChIKey is RZOPQIXOSPBWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3.ClH/c12-6-5-11(16)14-8-7-13-9-3-1-2-4-10(9)15(17)18;/h1-4,13H,5-8,12H2,(H,14,16);1H.
What are the key properties of 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride?
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride has a molecular weight of 288.73 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119272735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).