2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide

C15H25N3OS — CID 63304562

IUPAC2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCCCN(CC(=O)NC(C)c1cccs1)C1CCNC1
InChIInChI=1S/C15H25N3OS/c1-3-8-18(13-6-7-16-10-13)11-15(19)17-12(2)14-5-4-9-20-14/h4-5,9,12-13,16H,3,6-8,10-11H2,1-2H3,(H,17,19)
InChIKeyPAQOKGNNRSINGB-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.00
Rot. Bonds7

About 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide

2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 63304562) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID63304562
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCCCN(CC(=O)NC(C)c1cccs1)C1CCNC1
InChIInChI=1S/C15H25N3OS/c1-3-8-18(13-6-7-16-10-13)11-15(19)17-12(2)14-5-4-9-20-14/h4-5,9,12-13,16H,3,6-8,10-11H2,1-2H3,(H,17,19)
InChIKeyPAQOKGNNRSINGB-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azetidin-3-yl(ethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 66183457
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119921790
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 60967061
N-(1-phenylethyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933122
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
N-(3-methyl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921752
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304334
2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119933163
2-[azetidin-3-yl(propyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 66216723
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide (CID 63304562) is 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide is CCCN(CC(=O)NC(C)c1cccs1)C1CCNC1.
What is the InChIKey of 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is PAQOKGNNRSINGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-8-18(13-6-7-16-10-13)11-15(19)17-12(2)14-5-4-9-20-14/h4-5,9,12-13,16H,3,6-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 295.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(pyrrolidin-3-yl)amino]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 63304562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).