N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide

C12H17N3O3 — CID 112674142

IUPACN-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NOCC(N)=O)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O3/c1-12(2,8-3-5-9(13)6-4-8)11(17)15-18-7-10(14)16/h3-6H,7,13H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeySNNQUHWLIRZKQI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.08
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide

N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide (PubChem CID 112674142) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide
PubChem CID112674142
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NOCC(N)=O)c1ccc(N)cc1
InChIInChI=1S/C12H17N3O3/c1-12(2,8-3-5-9(13)6-4-8)11(17)15-18-7-10(14)16/h3-6H,7,13H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeySNNQUHWLIRZKQI-UHFFFAOYSA-N
XLogP0.08
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
CID 80556063
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-cyano-2-methylpropanamide
CID 80556066
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-(4-aminophenyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide
CID 80556193
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide (CID 112674142) is N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide is CC(C)(C(=O)NOCC(N)=O)c1ccc(N)cc1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide?
The InChIKey is SNNQUHWLIRZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,8-3-5-9(13)6-4-8)11(17)15-18-7-10(14)16/h3-6H,7,13H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide?
N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide has a molecular weight of 251.29 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide is sourced from PubChem (CID 112674142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).