2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide

C18H24N2OS — CID 86909139

IUPAC2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CNC(c1ccccc1)C(C)C)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-13(2)18(15-8-5-4-6-9-15)19-12-17(21)20-14(3)16-10-7-11-22-16/h4-11,13-14,18-19H,12H2,1-3H3,(H,20,21)
InChIKeyFJXUJZUISYSQHU-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.91
Rot. Bonds7

About 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide

2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 86909139) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID86909139
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CNC(c1ccccc1)C(C)C)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-13(2)18(15-8-5-4-6-9-15)19-12-17(21)20-14(3)16-10-7-11-22-16/h4-11,13-14,18-19H,12H2,1-3H3,(H,20,21)
InChIKeyFJXUJZUISYSQHU-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
N'-acetyl-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetohydrazide
CID 9132759
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide (CID 86909139) is 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CNC(c1ccccc1)C(C)C)c1cccs1.
What is the InChIKey of 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is FJXUJZUISYSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13(2)18(15-8-5-4-6-9-15)19-12-17(21)20-14(3)16-10-7-11-22-16/h4-11,13-14,18-19H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide?
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 316.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 86909139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).