2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

C15H31N3O2 — CID 79662387

IUPAC2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCN(CC(=O)NC(C(C)=O)C(C)C)CC(C)(C)CN
InChIInChI=1S/C15H31N3O2/c1-7-18(10-15(5,6)9-16)8-13(20)17-14(11(2)3)12(4)19/h11,14H,7-10,16H2,1-6H3,(H,17,20)
InChIKeyJTEUYLDQROJHIJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.02
Rot. Bonds9

About 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 79662387) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID79662387
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCCN(CC(=O)NC(C(C)=O)C(C)C)CC(C)(C)CN
InChIInChI=1S/C15H31N3O2/c1-7-18(10-15(5,6)9-16)8-13(20)17-14(11(2)3)12(4)19/h11,14H,7-10,16H2,1-6H3,(H,17,20)
InChIKeyJTEUYLDQROJHIJ-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393
2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62035731
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 79661979
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113239606
2-[1-(dimethylamino)propan-2-yl-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 103189926
N-[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]benzamide
CID 79664554
methyl 4-[[2-[(3-amino-2,2-dimethylpropyl)-ethylamino]acetyl]amino]butanoate
CID 79668203
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 95907538
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2,5-dichlorophenyl)acetamide
CID 79664777

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 79662387) is 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is CCN(CC(=O)NC(C(C)=O)C(C)C)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is JTEUYLDQROJHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-7-18(10-15(5,6)9-16)8-13(20)17-14(11(2)3)12(4)19/h11,14H,7-10,16H2,1-6H3,(H,17,20).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 285.43 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 79662387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).