2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C14H24N2O2S — CID 62022578

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)N(CCCO)CC(=O)N(C)Cc1cccs1
InChIInChI=1S/C14H24N2O2S/c1-12(2)16(7-5-8-17)11-14(18)15(3)10-13-6-4-9-19-13/h4,6,9,12,17H,5,7-8,10-11H2,1-3H3
InChIKeyVNLULRNULQOENP-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.80
Rot. Bonds8

About 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 62022578) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID62022578
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)N(CCCO)CC(=O)N(C)Cc1cccs1
InChIInChI=1S/C14H24N2O2S/c1-12(2)16(7-5-8-17)11-14(18)15(3)10-13-6-4-9-19-13/h4,6,9,12,17H,5,7-8,10-11H2,1-3H3
InChIKeyVNLULRNULQOENP-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 62022579
2-[cyclobutyl(3-hydroxypropyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 102848345
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62013841
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613694
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-[cyclohexyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 60694185
N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
CID 43573458
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 62022578) is 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CC(C)N(CCCO)CC(=O)N(C)Cc1cccs1.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VNLULRNULQOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)16(7-5-8-17)11-14(18)15(3)10-13-6-4-9-19-13/h4,6,9,12,17H,5,7-8,10-11H2,1-3H3.
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 284.42 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 62022578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).