2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C15H24N2O3S — CID 115613846

IUPAC2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN(CCO)CCOC
InChIInChI=1S/C15H24N2O3S/c1-3-6-17(12-14-5-4-11-21-14)15(19)13-16(7-9-18)8-10-20-2/h3-5,11,18H,1,6-10,12-13H2,2H3
InChIKeyDIKPUJMLQOOQKU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.20
Rot. Bonds11

About 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 115613846) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID115613846
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN(CCO)CCOC
InChIInChI=1S/C15H24N2O3S/c1-3-6-17(12-14-5-4-11-21-14)15(19)13-16(7-9-18)8-10-20-2/h3-5,11,18H,1,6-10,12-13H2,2H3
InChIKeyDIKPUJMLQOOQKU-UHFFFAOYSA-N
XLogP1.20
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 115613694
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
N-(2-methoxyethyl)-N-prop-2-enylthiophene-2-carboxamide
CID 103340492
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 115631915
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 115613728

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 115613846) is 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)CN(CCO)CCOC.
What is the InChIKey of 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DIKPUJMLQOOQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-6-17(12-14-5-4-11-21-14)15(19)13-16(7-9-18)8-10-20-2/h3-5,11,18H,1,6-10,12-13H2,2H3.
What are the key properties of 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 115613846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).