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

C11H16N4O3 — CID 119383783

IUPACN-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide
SMILESCN(CC(=O)NCCN)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-14(8-11(16)13-7-6-12)9-4-2-3-5-10(9)15(17)18/h2-5H,6-8,12H2,1H3,(H,13,16)
InChIKeySETJLCSHLASRGC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.11
Rot. Bonds6

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

N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide (PubChem CID 119383783) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide
PubChem CID119383783
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide
SMILESCN(CC(=O)NCCN)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-14(8-11(16)13-7-6-12)9-4-2-3-5-10(9)15(17)18/h2-5H,6-8,12H2,1H3,(H,13,16)
InChIKeySETJLCSHLASRGC-UHFFFAOYSA-N
XLogP0.11
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 119507028
N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide
CID 119523219
4-methyl-2-[[[2-(N-methyl-2-nitroanilino)acetyl]amino]methyl]pentanoic acid
CID 119253503
N-(2-cyclopentyl-2-hydroxyethyl)-2-(N-methyl-2-nitroanilino)acetamide
CID 111477726
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
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-(2-aminoethyl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 119384068
N-[(R)-cyano-(2-fluorophenyl)methyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 95782040
2-[ethyl-[2-(N-methyl-2-nitroanilino)acetyl]amino]acetic acid
CID 119206374
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[4-(diethylsulfamoyl)-N-methyl-2-nitroanilino]-N-propylacetamide
CID 9184627

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide (CID 119383783) is N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide is CN(CC(=O)NCCN)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide?
The InChIKey is SETJLCSHLASRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14(8-11(16)13-7-6-12)9-4-2-3-5-10(9)15(17)18/h2-5H,6-8,12H2,1H3,(H,13,16).
What are the key properties of N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide?
N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide has a molecular weight of 252.27 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide is sourced from PubChem (CID 119383783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).