3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide

C14H21N3O2 — CID 106276098

IUPAC3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(=O)NCc1ccccc1)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-14(2,13(15)19)10-16-9-12(18)17-8-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyNHRKUSOLYCLGFJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.40
Rot. Bonds7

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

3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide (PubChem CID 106276098) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
PubChem CID106276098
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNCC(=O)NCc1ccccc1)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-14(2,13(15)19)10-16-9-12(18)17-8-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyNHRKUSOLYCLGFJ-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277093
N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81419811
2,2-dimethyl-3-(2-phenylethylamino)propanamide
CID 103617251
N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106175936
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
4-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302280
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801
N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
CID 60971674
2-amino-N-[2-(benzylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79792967

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide (CID 106276098) is 3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide is CC(C)(CNCC(=O)NCc1ccccc1)C(N)=O.
What is the InChIKey of 3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide?
The InChIKey is NHRKUSOLYCLGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,13(15)19)10-16-9-12(18)17-8-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide?
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.40, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 106276098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).