N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide

C13H18N2O2 — CID 82100041

IUPACN-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(14-8-9-15-11(2)16)13(17)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyFGZKZDPAHHNJEH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds6

About N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide

N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide (PubChem CID 82100041) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide
PubChem CID82100041
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC(C)C(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(14-8-9-15-11(2)16)13(17)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyFGZKZDPAHHNJEH-UHFFFAOYSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide
CID 82100086
2-(3-chlorobutylamino)-1-phenylpropan-1-one
CID 141202272
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069
(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
CID 69303201
2-anilino-1-phenylpropan-1-one
CID 577481
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2R)-1-oxo-1-phenylpropan-2-yl]formamide
CID 130699282
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide (CID 82100041) is N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide is CC(=O)NCCNC(C)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide?
The InChIKey is FGZKZDPAHHNJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(14-8-9-15-11(2)16)13(17)12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide?
N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 82100041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).