3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide

C15H23N3O2 — CID 106313002

IUPAC3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-10-5-7-11(8-6-10)12(16)13(19)18-9-15(2,3)14(20)17-4/h5-8,12H,9,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyMFGQGDZLQGXAAF-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.88
Rot. Bonds5

About 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide

3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106313002) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106313002
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C15H23N3O2/c1-10-5-7-11(8-6-10)12(16)13(19)18-9-15(2,3)14(20)17-4/h5-8,12H,9,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyMFGQGDZLQGXAAF-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 106312475
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669291
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
CID 106275818
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide (CID 106313002) is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is MFGQGDZLQGXAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-5-7-11(8-6-10)12(16)13(19)18-9-15(2,3)14(20)17-4/h5-8,12H,9,16H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106313002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).