N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide

C13H20N2O3 — CID 121084172

IUPACN'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
SMILESCC(Cc1ccco1)NC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-9(8-10-6-5-7-18-10)14-11(16)12(17)15-13(2,3)4/h5-7,9H,8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyCNFYXRKGCUGWNA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.24
Rot. Bonds3

About N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide

N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide (PubChem CID 121084172) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
PubChem CID121084172
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
SMILESCC(Cc1ccco1)NC(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-9(8-10-6-5-7-18-10)14-11(16)12(17)15-13(2,3)4/h5-7,9H,8H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyCNFYXRKGCUGWNA-UHFFFAOYSA-N
XLogP1.24
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-N'-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084182
N'-[1-(furan-2-yl)propan-2-yl]-N-(2-methylphenyl)oxamide
CID 121084178
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide
CID 98205277
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
3,3,3-trifluoro-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 79791930
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
CID 56796180
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylsulfonylpropanamide
CID 94171682

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide?
The IUPAC name of N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide (CID 121084172) is N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide is CC(Cc1ccco1)NC(=O)C(=O)NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide?
The InChIKey is CNFYXRKGCUGWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(8-10-6-5-7-18-10)14-11(16)12(17)15-13(2,3)4/h5-7,9H,8H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide?
N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide has a molecular weight of 252.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide is sourced from PubChem (CID 121084172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).