2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C13H22N2O2S — CID 111496842

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(C)CCC(C)O
InChIInChI=1S/C13H22N2O2S/c1-10-5-7-18-12(10)8-14-13(17)9-15(3)6-4-11(2)16/h5,7,11,16H,4,6,8-9H2,1-3H3,(H,14,17)
InChIKeyFCEIQHYFVPQJLD-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.38
Rot. Bonds7

About 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 111496842) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID111496842
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(C)CCC(C)O
InChIInChI=1S/C13H22N2O2S/c1-10-5-7-18-12(10)8-14-13(17)9-15(3)6-4-11(2)16/h5,7,11,16H,4,6,8-9H2,1-3H3,(H,14,17)
InChIKeyFCEIQHYFVPQJLD-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013271
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87013804
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488603
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 111488709
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110899449
2-(3-methylbutylsulfinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 75381775
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 78880733

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 111496842) is 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CN(C)CCC(C)O.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is FCEIQHYFVPQJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10-5-7-18-12(10)8-14-13(17)9-15(3)6-4-11(2)16/h5,7,11,16H,4,6,8-9H2,1-3H3,(H,14,17).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 270.40 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 111496842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).