N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide

C17H24N2O3 — CID 2933633

IUPACN'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide
SMILESO=C(NCCCCc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C17H24N2O3/c20-16(17(21)19-13-15-10-6-12-22-15)18-11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2,(H,18,20)(H,19,21)
InChIKeyJJKHISOCIMPQOL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.42
Rot. Bonds7

About N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide

N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide (PubChem CID 2933633) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide.

Molecular Properties

Compound NameN'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide
PubChem CID2933633
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide
SMILESO=C(NCCCCc1ccccc1)C(=O)NCC1CCCO1
InChIInChI=1S/C17H24N2O3/c20-16(17(21)19-13-15-10-6-12-22-15)18-11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2,(H,18,20)(H,19,21)
InChIKeyJJKHISOCIMPQOL-UHFFFAOYSA-N
XLogP1.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 531986
Cambridge id 6878150
CID 2917394
N-(oxolan-2-ylmethyl)-N'-[(4-propan-2-ylphenyl)methyl]oxamide
CID 4314957
2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3148058
N-(4-Methyl-benzyl)-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 2891290
3-phenyl-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2914304
3-chloro-1-(2-phenylethyl)-4-[(tetrahydro-2-furanylmethyl)amino]-1H-pyrrole-2,5-dione
CID 2939610
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2963958
5-oxo-1-(2-phenylethyl)-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3241684
N-(oxolan-2-ylmethyl)-3,3-diphenylpropanamide
CID 4385965
N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 16658884
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263

Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide?
The IUPAC name of N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide (CID 2933633) is N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide.
What is the SMILES notation for N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide?
The canonical SMILES for N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide is O=C(NCCCCc1ccccc1)C(=O)NCC1CCCO1.
What is the InChIKey of N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide?
The InChIKey is JJKHISOCIMPQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(17(21)19-13-15-10-6-12-22-15)18-11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2,(H,18,20)(H,19,21).
What are the key properties of N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide?
N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide has a molecular weight of 304.39 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide is sourced from PubChem (CID 2933633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).