N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide

C13H20N4O3 — CID 119523219

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide
SMILESCN(CC(=O)NC(C)(C)CN)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-13(2,9-14)15-12(18)8-16(3)10-6-4-5-7-11(10)17(19)20/h4-7H,8-9,14H2,1-3H3,(H,15,18)
InChIKeyDXZJPGBYUVHSKY-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.88
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide

N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide (PubChem CID 119523219) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide
PubChem CID119523219
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide
SMILESCN(CC(=O)NC(C)(C)CN)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-13(2,9-14)15-12(18)8-16(3)10-6-4-5-7-11(10)17(19)20/h4-7H,8-9,14H2,1-3H3,(H,15,18)
InChIKeyDXZJPGBYUVHSKY-UHFFFAOYSA-N
XLogP0.88
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.88
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-aminoethyl)-2-(N-methyl-2-nitroanilino)acetamide
CID 119383783
N-[1-(aminomethyl)cyclopentyl]-2-(N-methyl-2-nitroanilino)acetamide;hydrochloride
CID 119566647
N-[2-(ethylamino)ethyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 119507028
N-(2-amino-1-cyclopropylethyl)-2-(N-methyl-2-nitroanilino)acetamide;hydrochloride
CID 119615260
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
2-[ethyl-[2-(N-methyl-2-nitroanilino)acetyl]amino]acetic acid
CID 119206374
N-[(R)-cyano-(2-fluorophenyl)methyl]-2-(N-methyl-2-nitroanilino)acetamide
CID 95782040
3-ethoxy-2,2-dimethyl-1-[[2-(N-methyl-2-nitroanilino)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120700215
N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-2-chloro-6-nitrobenzamide
CID 119523735
N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47060051

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide (CID 119523219) is N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide is CN(CC(=O)NC(C)(C)CN)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide?
The InChIKey is DXZJPGBYUVHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,9-14)15-12(18)8-16(3)10-6-4-5-7-11(10)17(19)20/h4-7H,8-9,14H2,1-3H3,(H,15,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide?
N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide has a molecular weight of 280.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(N-methyl-2-nitroanilino)acetamide is sourced from PubChem (CID 119523219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).