N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide

C13H20N4O3 — CID 119507028

IUPACN-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide
SMILESCCNCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-3-14-8-9-15-13(18)10-16(2)11-6-4-5-7-12(11)17(19)20/h4-7,14H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyHMLDLTCXBWZKJD-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.76
Rot. Bonds8

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

N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide (PubChem CID 119507028) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide
PubChem CID119507028
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide
SMILESCCNCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-3-14-8-9-15-13(18)10-16(2)11-6-4-5-7-12(11)17(19)20/h4-7,14H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyHMLDLTCXBWZKJD-UHFFFAOYSA-N
XLogP0.76
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
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-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide
CID 119383783
N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
4-methyl-2-[[[2-(N-methyl-2-nitroanilino)acetyl]amino]methyl]pentanoic acid
CID 119253503
N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide
CID 119523219
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
N-(2-cyclopentyl-2-hydroxyethyl)-2-(N-methyl-2-nitroanilino)acetamide
CID 111477726
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
2-[ethyl-[2-(N-methyl-2-nitroanilino)acetyl]amino]acetic acid
CID 119206374
N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
CID 54980661
2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide
CID 9184627
N-[1-(aminomethyl)cyclopentyl]-2-(N-methyl-2-nitroanilino)acetamide;hydrochloride
CID 119566647
N-(2-amino-1-cyclopropylethyl)-2-(N-methyl-2-nitroanilino)acetamide;hydrochloride
CID 119615260

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide (CID 119507028) is N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide is CCNCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide?
The InChIKey is HMLDLTCXBWZKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-14-8-9-15-13(18)10-16(2)11-6-4-5-7-12(11)17(19)20/h4-7,14H,3,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide?
N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide has a molecular weight of 280.33 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide is sourced from PubChem (CID 119507028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).