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

C13H20N2O — CID 28684626

IUPACN-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCN[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-10-4-6-13(7-5-10)11(2)14-8-9-15-12(3)16/h4-7,11,14H,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyZDIVNFSNOQHQBQ-NSHDSACASA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds5

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

N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide (PubChem CID 28684626) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
PubChem CID28684626
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCN[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-10-4-6-13(7-5-10)11(2)14-8-9-15-12(3)16/h4-7,11,14H,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyZDIVNFSNOQHQBQ-NSHDSACASA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
N-[2-[1-(4-nitrophenyl)ethylamino]ethyl]acetamide
CID 43297387
N-[2-[[cyano-(4-methylphenyl)methyl]amino]ethyl]acetamide
CID 84816804
N-ethyl-3-[1-(4-methylphenyl)ethylamino]propanamide
CID 62325873
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate
CID 43139755
N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
CID 82312351
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
methyl 4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81355699
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide (CID 28684626) is N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide is CC(=O)NCCN[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide?
The InChIKey is ZDIVNFSNOQHQBQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-6-13(7-5-10)11(2)14-8-9-15-12(3)16/h4-7,11,14H,8-9H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide?
N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide is sourced from PubChem (CID 28684626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).