3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide

C13H27N3O2 — CID 65264343

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide
SMILESCCN(CC(=O)N(C)C)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H27N3O2/c1-8-16(9-10(17)15(6)7)11(18)12(2,3)13(4,5)14/h8-9,14H2,1-7H3
InChIKeyQSDPETBJGYWYCD-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.69
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide (PubChem CID 65264343) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide
PubChem CID65264343
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide
SMILESCCN(CC(=O)N(C)C)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H27N3O2/c1-8-16(9-10(17)15(6)7)11(18)12(2,3)13(4,5)14/h8-9,14H2,1-7H3
InChIKeyQSDPETBJGYWYCD-UHFFFAOYSA-N
XLogP0.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,2,3-trimethyl-N-propylbutanamide
CID 65270059
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpropanamide
CID 78972200
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61266021
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpentanamide;hydrochloride
CID 119729876
3-amino-N-(2-amino-2-oxoethyl)-N,2,2,3-tetramethylbutanamide
CID 65264440
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbutanamide
CID 43649681
N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
CID 76921580
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79815221
3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308163
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide
CID 107024837
3-amino-N,2,2,3-tetramethyl-N-(4-methylpentan-2-yl)butanamide
CID 65269995

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide (CID 65264343) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide is CCN(CC(=O)N(C)C)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide?
The InChIKey is QSDPETBJGYWYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-8-16(9-10(17)15(6)7)11(18)12(2,3)13(4,5)14/h8-9,14H2,1-7H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).