1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea

C11H16N4O2 — CID 57058813

IUPAC1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea
SMILESN/C(=N\C1CCC1)NC(=O)NCc1ccco1
InChIInChI=1S/C11H16N4O2/c12-10(14-8-3-1-4-8)15-11(16)13-7-9-5-2-6-17-9/h2,5-6,8H,1,3-4,7H2,(H4,12,13,14,15,16)
InChIKeyRRZQZQCCXVTALR-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.95
Rot. Bonds3

About 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea

1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea (PubChem CID 57058813) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea
PubChem CID57058813
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea
SMILESN/C(=N\C1CCC1)NC(=O)NCc1ccco1
InChIInChI=1S/C11H16N4O2/c12-10(14-8-3-1-4-8)15-11(16)13-7-9-5-2-6-17-9/h2,5-6,8H,1,3-4,7H2,(H4,12,13,14,15,16)
InChIKeyRRZQZQCCXVTALR-UHFFFAOYSA-N
XLogP0.95
TPSA92.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (1R,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 50937596
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
2-(3-aminopiperidin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 61295561
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
(3Z)-3-amino-N-(furan-2-ylmethyl)-3-hydroxyiminopropanamide
CID 16772157
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044

Frequently Asked Questions

What is the IUPAC name of 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea (CID 57058813) is 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea is N/C(=N\C1CCC1)NC(=O)NCc1ccco1.
What is the InChIKey of 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea?
The InChIKey is RRZQZQCCXVTALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-10(14-8-3-1-4-8)15-11(16)13-7-9-5-2-6-17-9/h2,5-6,8H,1,3-4,7H2,(H4,12,13,14,15,16).
What are the key properties of 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea?
1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea has a molecular weight of 236.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-cyclobutylcarbamimidoyl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 57058813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).