N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide

C12H18N2O — CID 28684616

IUPACN-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCN[C@H](C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(12-6-4-3-5-7-12)13-8-9-14-11(2)15/h3-7,10,13H,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyPGFYGQAQRZQUCY-SNVBAGLBSA-N
MW206.29 g/mol
LogP1.47
Rot. Bonds5

About N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide

N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide (PubChem CID 28684616) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
PubChem CID28684616
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCN[C@H](C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(12-6-4-3-5-7-12)13-8-9-14-11(2)15/h3-7,10,13H,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyPGFYGQAQRZQUCY-SNVBAGLBSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 28684626
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
3-(1-phenylethylamino)propanoic acid
CID 2826777
N-[2-[1-(4-nitrophenyl)ethylamino]ethyl]acetamide
CID 43297387
N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide
CID 82100041
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide (CID 28684616) is N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide is CC(=O)NCCN[C@H](C)c1ccccc1.
What is the InChIKey of N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide?
The InChIKey is PGFYGQAQRZQUCY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(12-6-4-3-5-7-12)13-8-9-14-11(2)15/h3-7,10,13H,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide?
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide has a molecular weight of 206.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide is sourced from PubChem (CID 28684616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).