2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide

C16H26N2OS — CID 52569061

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C16H26N2OS/c1-3-9-17(10-4-2)16(19)13-18(14-7-8-14)12-15-6-5-11-20-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyDESSSLJUPUNRNA-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.36
Rot. Bonds9

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide (PubChem CID 52569061) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
PubChem CID52569061
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C16H26N2OS/c1-3-9-17(10-4-2)16(19)13-18(14-7-8-14)12-15-6-5-11-20-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3
InChIKeyDESSSLJUPUNRNA-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 134001328
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 62271809
2-[cyclobutyl(3-hydroxypropyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 102848345
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
2-[cyclohexyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 60694185
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide (CID 52569061) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide?
The InChIKey is DESSSLJUPUNRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-9-17(10-4-2)16(19)13-18(14-7-8-14)12-15-6-5-11-20-15/h5-6,11,14H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide has a molecular weight of 294.46 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide is sourced from PubChem (CID 52569061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).