N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride

C12H19ClN4O3 — CID 119507792

IUPACN-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
SMILESCCNCCNC(=O)CNc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C12H18N4O3.ClH/c1-2-13-7-8-14-12(17)9-15-10-5-3-4-6-11(10)16(18)19;/h3-6,13,15H,2,7-9H2,1H3,(H,14,17);1H
InChIKeyXBQNDACSTTVSGX-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.15
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride (PubChem CID 119507792) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
PubChem CID119507792
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC NameN-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
SMILESCCNCCNC(=O)CNc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C12H18N4O3.ClH/c1-2-13-7-8-14-12(17)9-15-10-5-3-4-6-11(10)16(18)19;/h3-6,13,15H,2,7-9H2,1H3,(H,14,17);1H
InChIKeyXBQNDACSTTVSGX-UHFFFAOYSA-N
XLogP1.15
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.15
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

2-(2-nitroanilino)-N-propylacetamide
CID 43398638
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-(3-hydroxybutyl)-2-(2-nitroanilino)acetamide
CID 111433406
2-(2-nitroanilino)-N-prop-2-ynylacetamide
CID 47401063
N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 119507028
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide
CID 120826811
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
CID 110000865
2-methyl-N-[2-(2-nitroanilino)ethyl]butanamide
CID 46519537
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride (CID 119507792) is N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride is CCNCCNC(=O)CNc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride?
The InChIKey is XBQNDACSTTVSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3.ClH/c1-2-13-7-8-14-12(17)9-15-10-5-3-4-6-11(10)16(18)19;/h3-6,13,15H,2,7-9H2,1H3,(H,14,17);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride is sourced from PubChem (CID 119507792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).