N-octyl-N'-[(1R)-1-phenylethyl]oxamide

C18H28N2O2 — CID 124544737

IUPACN-octyl-N'-[(1R)-1-phenylethyl]oxamide
SMILESCCCCCCCCNC(=O)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-4-5-6-7-11-14-19-17(21)18(22)20-15(2)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyUXBPLFXMKVYEBA-OAHLLOKOSA-N
MW304.43 g/mol
LogP3.34
Rot. Bonds9

About N-octyl-N'-[(1R)-1-phenylethyl]oxamide

N-octyl-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 124544737) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-octyl-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-octyl-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID124544737
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-octyl-N'-[(1R)-1-phenylethyl]oxamide
SMILESCCCCCCCCNC(=O)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-3-4-5-6-7-11-14-19-17(21)18(22)20-15(2)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyUXBPLFXMKVYEBA-OAHLLOKOSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
1-hexyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948974
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-dodecyl-2,2-diphenylacetamide
CID 5143289
1-benzhydryl-3-octadecylurea
CID 142646590
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744

Frequently Asked Questions

What is the IUPAC name of N-octyl-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-octyl-N'-[(1R)-1-phenylethyl]oxamide (CID 124544737) is N-octyl-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-octyl-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-octyl-N'-[(1R)-1-phenylethyl]oxamide is CCCCCCCCNC(=O)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of N-octyl-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is UXBPLFXMKVYEBA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-4-5-6-7-11-14-19-17(21)18(22)20-15(2)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of N-octyl-N'-[(1R)-1-phenylethyl]oxamide?
N-octyl-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 304.43 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 124544737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).