5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide

C14H21N3O4 — CID 138993064

IUPAC5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)NCc2ccc(C(N)=O)o2)CCO1
InChIInChI=1S/C14H21N3O4/c1-14(2)7-9(5-6-20-14)17-13(19)16-8-10-3-4-11(21-10)12(15)18/h3-4,9H,5-8H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyJSFHSSDVJIQVSR-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.14
Rot. Bonds4

About 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide

5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide (PubChem CID 138993064) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide
PubChem CID138993064
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)NCc2ccc(C(N)=O)o2)CCO1
InChIInChI=1S/C14H21N3O4/c1-14(2)7-9(5-6-20-14)17-13(19)16-8-10-3-4-11(21-10)12(15)18/h3-4,9H,5-8H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyJSFHSSDVJIQVSR-UHFFFAOYSA-N
XLogP1.14
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 83028620
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430
1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
CID 3688648
5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 113475840
2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 83034492
5-[(cyclohexylamino)methyl]furan-2-carboxamide
CID 115672619
1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
CID 130792779
4-[(2,2-dimethyloxan-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 83029194
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
1-benzyl-3-(2,2-diethyloxan-4-yl)urea
CID 103867854

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide (CID 138993064) is 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide is CC1(C)CC(NC(=O)NCc2ccc(C(N)=O)o2)CCO1.
What is the InChIKey of 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide?
The InChIKey is JSFHSSDVJIQVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2)7-9(5-6-20-14)17-13(19)16-8-10-3-4-11(21-10)12(15)18/h3-4,9H,5-8H2,1-2H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide?
5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]furan-2-carboxamide is sourced from PubChem (CID 138993064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).