2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide

C13H20N2O — CID 30045539

IUPAC2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
SMILESCCCc1ccc([C@H](C)NCC(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-11-5-7-12(8-6-11)10(2)15-9-13(14)16/h5-8,10,15H,3-4,9H2,1-2H3,(H2,14,16)/t10-/m0/s1
InChIKeyPGDBGGLNQXTXLK-JTQLQIEISA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds6

About 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide

2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide (PubChem CID 30045539) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
PubChem CID30045539
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
SMILESCCCc1ccc([C@H](C)NCC(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-11-5-7-12(8-6-11)10(2)15-9-13(14)16/h5-8,10,15H,3-4,9H2,1-2H3,(H2,14,16)/t10-/m0/s1
InChIKeyPGDBGGLNQXTXLK-JTQLQIEISA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
methyl 2-(4-propylphenyl)propanoate
CID 62801402
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
2-methoxy-2-(4-propylphenyl)acetamide
CID 91163100
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide (CID 30045539) is 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide is CCCc1ccc([C@H](C)NCC(N)=O)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide?
The InChIKey is PGDBGGLNQXTXLK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-11-5-7-12(8-6-11)10(2)15-9-13(14)16/h5-8,10,15H,3-4,9H2,1-2H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide?
2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 30045539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).