3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide

C13H21N3O — CID 106275307

IUPAC3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc(N)ccc1C
InChIInChI=1S/C13H21N3O/c1-9-5-6-10(14)7-11(9)16-8-13(2,3)12(17)15-4/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyQFGPMYJEGCHXQP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.76
Rot. Bonds4

About 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide

3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide (PubChem CID 106275307) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide
PubChem CID106275307
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1cc(N)ccc1C
InChIInChI=1S/C13H21N3O/c1-9-5-6-10(14)7-11(9)16-8-13(2,3)12(17)15-4/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyQFGPMYJEGCHXQP-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 114167709
N-[1-(5-amino-2-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 55256567
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 106275284
2-(5-amino-2-methylanilino)-2-methylpropanamide
CID 62591066
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000
3-[(5-amino-4-methyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275327
3-(5-chloro-2-methyl-4-nitroanilino)-N,2,2-trimethylpropanamide
CID 106278223
3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide
CID 106278266
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide (CID 106275307) is 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1cc(N)ccc1C.
What is the InChIKey of 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide?
The InChIKey is QFGPMYJEGCHXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-6-10(14)7-11(9)16-8-13(2,3)12(17)15-4/h5-7,16H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide?
3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).