N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide

C13H21NO2S — CID 113236235

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C13H21NO2S/c1-4-7-16-9-12(15)14-10-13(2,3)11-6-5-8-17-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,14,15)
InChIKeyHCEVQQZKOWQWSK-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.57
Rot. Bonds7

About N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide

N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide (PubChem CID 113236235) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
PubChem CID113236235
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C13H21NO2S/c1-4-7-16-9-12(15)14-10-13(2,3)11-6-5-8-17-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,14,15)
InChIKeyHCEVQQZKOWQWSK-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
CID 78962055
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
5-amino-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide
CID 80527343
2-[2-(aminomethyl)phenyl]-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 81312766
1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
CID 115627643
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
(2R)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527715
2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
CID 120989918
2-methyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 80526378

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide (CID 113236235) is N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide is CCCOCC(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide?
The InChIKey is HCEVQQZKOWQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-7-16-9-12(15)14-10-13(2,3)11-6-5-8-17-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide?
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide has a molecular weight of 255.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide is sourced from PubChem (CID 113236235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).