N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide

C18H20N2O2 — CID 2249935

IUPACN'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
SMILESC[C@H](NC(=O)C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14(16-10-6-3-7-11-16)20-18(22)17(21)19-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyDXKBLLKYWIFPPU-AWEZNQCLSA-N
MW296.37 g/mol
LogP2.22
Rot. Bonds5

About N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide

N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide (PubChem CID 2249935) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
PubChem CID2249935
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
SMILESC[C@H](NC(=O)C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14(16-10-6-3-7-11-16)20-18(22)17(21)19-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyDXKBLLKYWIFPPU-AWEZNQCLSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 30126571
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide (CID 2249935) is N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide is C[C@H](NC(=O)C(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide?
The InChIKey is DXKBLLKYWIFPPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14(16-10-6-3-7-11-16)20-18(22)17(21)19-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,19,21)(H,20,22)/t14-/m0/s1.
What are the key properties of N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide?
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide has a molecular weight of 296.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 2249935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).