3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide

C13H21N3O3 — CID 56796180

IUPAC3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
SMILESCC(Cc1ccco1)NC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C13H21N3O3/c1-9(7-10-5-4-6-19-10)16-12(18)15-8-13(2,3)11(14)17/h4-6,9H,7-8H2,1-3H3,(H2,14,17)(H2,15,16,18)
InChIKeyZGWIGPUTNFTHRK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.02
Rot. Bonds6

About 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide

3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide (PubChem CID 56796180) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
PubChem CID56796180
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
SMILESCC(Cc1ccco1)NC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C13H21N3O3/c1-9(7-10-5-4-6-19-10)16-12(18)15-8-13(2,3)11(14)17/h4-6,9H,7-8H2,1-3H3,(H2,14,17)(H2,15,16,18)
InChIKeyZGWIGPUTNFTHRK-UHFFFAOYSA-N
XLogP1.02
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65223156
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638
N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084172
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
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641
7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid
CID 61471041
3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
CID 81070085
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylsulfonylpropanamide
CID 94171682
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide (CID 56796180) is 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide is CC(Cc1ccco1)NC(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide?
The InChIKey is ZGWIGPUTNFTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(7-10-5-4-6-19-10)16-12(18)15-8-13(2,3)11(14)17/h4-6,9H,7-8H2,1-3H3,(H2,14,17)(H2,15,16,18).
What are the key properties of 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide?
3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 56796180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).