2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

C13H21ClN2OS — CID 119689999

IUPAC2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCCN(Cc1cccs1)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-2-15(10-12-4-3-7-17-12)13(16)9-14-8-11-5-6-11;/h3-4,7,11,14H,2,5-6,8-10H2,1H3;1H
InChIKeyCMCMKUSEWSBIQT-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.52
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119689999) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
PubChem CID119689999
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCCN(Cc1cccs1)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C13H20N2OS.ClH/c1-2-15(10-12-4-3-7-17-12)13(16)9-14-8-11-5-6-11;/h3-4,7,11,14H,2,5-6,8-10H2,1H3;1H
InChIKeyCMCMKUSEWSBIQT-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119807077
N-[(5-bromothiophen-2-yl)methyl]-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 54869357
N-ethyl-2-(4-methylcyclohexyl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 90228031
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-(oxolan-2-ylmethyl)-2-(propylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 60687494
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
N-benzyl-2-[[(2R)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 7264489
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
2-ethoxy-N-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18163395
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (CID 119689999) is 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is CCN(Cc1cccs1)C(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is CMCMKUSEWSBIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS.ClH/c1-2-15(10-12-4-3-7-17-12)13(16)9-14-8-11-5-6-11;/h3-4,7,11,14H,2,5-6,8-10H2,1H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 288.84 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119689999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).