4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide

C12H20N2OS — CID 81087639

IUPAC4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCN(Cc1cccs1)C(=O)CC(C)CN
InChIInChI=1S/C12H20N2OS/c1-3-14(9-11-5-4-6-16-11)12(15)7-10(2)8-13/h4-6,10H,3,7-9,13H2,1-2H3
InChIKeyWQEBXSZHDYLSJF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.08
Rot. Bonds6

About 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide

4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 81087639) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID81087639
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCN(Cc1cccs1)C(=O)CC(C)CN
InChIInChI=1S/C12H20N2OS/c1-3-14(9-11-5-4-6-16-11)12(15)7-10(2)8-13/h4-6,10H,3,7-9,13H2,1-2H3
InChIKeyWQEBXSZHDYLSJF-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)butanamide
CID 104502284
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128
4-amino-N,N-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]butanamide
CID 66432298
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60953759
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 55373105
5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966393

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide (CID 81087639) is 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide is CCN(Cc1cccs1)C(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is WQEBXSZHDYLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-14(9-11-5-4-6-16-11)12(15)7-10(2)8-13/h4-6,10H,3,7-9,13H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide?
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 240.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 81087639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).