N',N'-dibutyl-N-(1-phenylethyl)oxamide

C18H28N2O2 — CID 108507880

IUPACN',N'-dibutyl-N-(1-phenylethyl)oxamide
SMILESCCCCN(CCCC)C(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-4-6-13-20(14-7-5-2)18(22)17(21)19-15(3)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3,(H,19,21)
InChIKeyKIUHNVGNBZCLOX-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.29
Rot. Bonds8

About N',N'-dibutyl-N-(1-phenylethyl)oxamide

N',N'-dibutyl-N-(1-phenylethyl)oxamide (PubChem CID 108507880) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N',N'-dibutyl-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN',N'-dibutyl-N-(1-phenylethyl)oxamide
PubChem CID108507880
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN',N'-dibutyl-N-(1-phenylethyl)oxamide
SMILESCCCCN(CCCC)C(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-4-6-13-20(14-7-5-2)18(22)17(21)19-15(3)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3,(H,19,21)
InChIKeyKIUHNVGNBZCLOX-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-propyloxamide
CID 108510078
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
3-[butyl(phenylcarbamoyl)amino]-N-(1-phenylethyl)propanamide
CID 42700226
(Z)-2-cyano-3-(dibutylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108840054
3-benzhydryl-1,1-dibutylurea
CID 108867480
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2290937
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
butyl N-(1-phenylethyl)carbamate
CID 571821
3-[butyl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42700235
N-butyl-3,5,5-trimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]hexanamide
CID 42700220
2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4295925

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-(1-phenylethyl)oxamide?
The IUPAC name of N',N'-dibutyl-N-(1-phenylethyl)oxamide (CID 108507880) is N',N'-dibutyl-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N',N'-dibutyl-N-(1-phenylethyl)oxamide?
The canonical SMILES for N',N'-dibutyl-N-(1-phenylethyl)oxamide is CCCCN(CCCC)C(=O)C(=O)NC(C)c1ccccc1.
What is the InChIKey of N',N'-dibutyl-N-(1-phenylethyl)oxamide?
The InChIKey is KIUHNVGNBZCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-6-13-20(14-7-5-2)18(22)17(21)19-15(3)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3,(H,19,21).
What are the key properties of N',N'-dibutyl-N-(1-phenylethyl)oxamide?
N',N'-dibutyl-N-(1-phenylethyl)oxamide has a molecular weight of 304.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 108507880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).