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

C13H20N2O4 — CID 90523886

IUPACN'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCC(O)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-13(2,3)15-12(18)11(17)14-7-6-9(16)10-5-4-8-19-10/h4-5,8-9,16H,6-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyFDDKFAJTXBLSHS-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.73
Rot. Bonds4

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

N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (PubChem CID 90523886) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
PubChem CID90523886
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCC(O)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-13(2,3)15-12(18)11(17)14-7-6-9(16)10-5-4-8-19-10/h4-5,8-9,16H,6-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyFDDKFAJTXBLSHS-UHFFFAOYSA-N
XLogP0.73
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.73
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

2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523908
N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787744
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
CID 90523930
N'-(2,5-dimethoxyphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523941
N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523924
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbenzamide
CID 71787703
1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
CID 71787781
N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 95740998

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (CID 90523886) is N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is CC(C)(C)NC(=O)C(=O)NCCC(O)c1ccco1.
What is the InChIKey of N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The InChIKey is FDDKFAJTXBLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2,3)15-12(18)11(17)14-7-6-9(16)10-5-4-8-19-10/h4-5,8-9,16H,6-7H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide has a molecular weight of 268.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 90523886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).