N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide

C16H21NO2S — CID 163447099

IUPACN-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide
SMILESCCN(CC1C=CCS1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C16H21NO2S/c1-3-17(11-15-8-5-9-20-15)16(18)12-19-14-7-4-6-13(2)10-14/h4-8,10,15H,3,9,11-12H2,1-2H3
InChIKeyBDLDLRBLHSTBQJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.89
Rot. Bonds6

About N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide

N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide (PubChem CID 163447099) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide
PubChem CID163447099
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide
SMILESCCN(CC1C=CCS1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C16H21NO2S/c1-3-17(11-15-8-5-9-20-15)16(18)12-19-14-7-4-6-13(2)10-14/h4-8,10,15H,3,9,11-12H2,1-2H3
InChIKeyBDLDLRBLHSTBQJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
CID 54899163
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)acetamide
CID 78762157
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
1-(3-methylphenoxy)butan-2-one
CID 19100291
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206
N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531141
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
2-[[2-(3-methylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265254
2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9095232

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide (CID 163447099) is N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide is CCN(CC1C=CCS1)C(=O)COc1cccc(C)c1.
What is the InChIKey of N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide?
The InChIKey is BDLDLRBLHSTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-17(11-15-8-5-9-20-15)16(18)12-19-14-7-4-6-13(2)10-14/h4-8,10,15H,3,9,11-12H2,1-2H3.
What are the key properties of N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide?
N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydrothiophen-2-ylmethyl)-N-ethyl-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 163447099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).