3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

C15H23N3O2 — CID 106277093

IUPAC3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(2,14(20)16-3)11-17-10-13(19)18-9-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJSLWADQJQCBFJC-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.66
Rot. Bonds7

About 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106277093) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106277093
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(2,14(20)16-3)11-17-10-13(19)18-9-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJSLWADQJQCBFJC-UHFFFAOYSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81419811
N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106175936
4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302280
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
2-amino-N-[2-(benzylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79792967
1-benzyl-3-methylurea;ethane
CID 90763782
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
N-benzyl-2-hydrazinylacetamide
CID 15514349

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (CID 106277093) is 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC(=O)NCc1ccccc1.
What is the InChIKey of 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is JSLWADQJQCBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,14(20)16-3)11-17-10-13(19)18-9-12-7-5-4-6-8-12/h4-8,17H,9-11H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).