2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide

C12H20N2O2S — CID 79473033

IUPAC2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
SMILESCc1cc(C(C)NC(=O)COCCN)c(C)s1
InChIInChI=1S/C12H20N2O2S/c1-8-6-11(10(3)17-8)9(2)14-12(15)7-16-5-4-13/h6,9H,4-5,7,13H2,1-3H3,(H,14,15)
InChIKeyKNOQJLSALXFRDF-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.52
Rot. Bonds6

About 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide

2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide (PubChem CID 79473033) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
PubChem CID79473033
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
SMILESCc1cc(C(C)NC(=O)COCCN)c(C)s1
InChIInChI=1S/C12H20N2O2S/c1-8-6-11(10(3)17-8)9(2)14-12(15)7-16-5-4-13/h6,9H,4-5,7,13H2,1-3H3,(H,14,15)
InChIKeyKNOQJLSALXFRDF-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-hydroxypentanamide
CID 79204774
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pentanamide
CID 107908544
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
2-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569421
1-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclopentane-1-carboxamide
CID 81489633
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
3-amino-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-4-oxobutanoic acid
CID 64894505
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 61498588

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide (CID 79473033) is 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide is Cc1cc(C(C)NC(=O)COCCN)c(C)s1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
The InChIKey is KNOQJLSALXFRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8-6-11(10(3)17-8)9(2)14-12(15)7-16-5-4-13/h6,9H,4-5,7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide?
2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide is sourced from PubChem (CID 79473033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).