2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide

C19H26N2OS — CID 51730175

IUPAC2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCC(C)[C@H](NC(=O)CN(C)[C@H](C)c1ccccc1)c1cccs1
InChIInChI=1S/C19H26N2OS/c1-14(2)19(17-11-8-12-23-17)20-18(22)13-21(4)15(3)16-9-6-5-7-10-16/h5-12,14-15,19H,13H2,1-4H3,(H,20,22)/t15-,19+/m1/s1
InChIKeyHSSZUDBDTGUJAR-BEFAXECRSA-N
MW330.50 g/mol
LogP4.25
Rot. Bonds7

About 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide

2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide (PubChem CID 51730175) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
PubChem CID51730175
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCC(C)[C@H](NC(=O)CN(C)[C@H](C)c1ccccc1)c1cccs1
InChIInChI=1S/C19H26N2OS/c1-14(2)19(17-11-8-12-23-17)20-18(22)13-21(4)15(3)16-9-6-5-7-10-16/h5-12,14-15,19H,13H2,1-4H3,(H,20,22)/t15-,19+/m1/s1
InChIKeyHSSZUDBDTGUJAR-BEFAXECRSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 97328796
2-[3-aminopropyl(methyl)amino]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 81493847
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 24568213
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
2-[bis(furan-2-ylmethyl)amino]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487383
2-[bis(furan-2-ylmethyl)amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51487381
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
3-[methyl(1-thiophen-2-ylethyl)amino]-3-phenylpropanoic acid
CID 63068841
2-(4-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43709161
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide (CID 51730175) is 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide is CC(C)[C@H](NC(=O)CN(C)[C@H](C)c1ccccc1)c1cccs1.
What is the InChIKey of 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is HSSZUDBDTGUJAR-BEFAXECRSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-14(2)19(17-11-8-12-23-17)20-18(22)13-21(4)15(3)16-9-6-5-7-10-16/h5-12,14-15,19H,13H2,1-4H3,(H,20,22)/t15-,19+/m1/s1.
What are the key properties of 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 330.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 51730175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).