N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide

C13H20N2O4 — CID 121132914

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C13H20N2O4/c1-9(2)7-15-13(18)12(17)14-5-3-11(16)10-4-6-19-8-10/h4,6,8-9,11,16H,3,5,7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyCEGXQUOIWRCARL-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.59
Rot. Bonds6

About N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide (PubChem CID 121132914) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
PubChem CID121132914
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C13H20N2O4/c1-9(2)7-15-13(18)12(17)14-5-3-11(16)10-4-6-19-8-10/h4,6,8-9,11,16H,3,5,7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyCEGXQUOIWRCARL-UHFFFAOYSA-N
XLogP0.59
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 97106356
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97106355
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
CID 97106259
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 97106388
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418
N'-cyclopropyl-N-[2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 71798378
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
CID 121132989
2-cyclopentyl-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]acetamide
CID 97106206

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide (CID 121132914) is N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCCC(O)c1ccoc1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide?
The InChIKey is CEGXQUOIWRCARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(2)7-15-13(18)12(17)14-5-3-11(16)10-4-6-19-8-10/h4,6,8-9,11,16H,3,5,7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide has a molecular weight of 268.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 121132914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).