N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide

C13H22N2OS — CID 79667491

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide
SMILESCCN(CC(C)(C)CN)C(=O)Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-15(10-13(2,3)9-14)12(16)8-11-6-5-7-17-11/h5-7H,4,8-10,14H2,1-3H3
InChIKeyLOMIUMAUMKRYGN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.12
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide (PubChem CID 79667491) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide
PubChem CID79667491
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide
SMILESCCN(CC(C)(C)CN)C(=O)Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-15(10-13(2,3)9-14)12(16)8-11-6-5-7-17-11/h5-7H,4,8-10,14H2,1-3H3
InChIKeyLOMIUMAUMKRYGN-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
N-ethyl-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 39243285
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
CID 80641264
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79652724
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
CID 79652321
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-fluorophenyl)acetamide
CID 79668064
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148503
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-phenylpropanamide
CID 79668144
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 79667566
3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
CID 116556957
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide (CID 79667491) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide is CCN(CC(C)(C)CN)C(=O)Cc1cccs1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide?
The InChIKey is LOMIUMAUMKRYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-15(10-13(2,3)9-14)12(16)8-11-6-5-7-17-11/h5-7H,4,8-10,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide has a molecular weight of 254.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 79667491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).