1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea

C18H26N2O3 — CID 138022973

IUPAC1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea
SMILESO=C(NC1CCOC2(CCCC2)C1)N(Cc1ccoc1)C1CC1
InChIInChI=1S/C18H26N2O3/c21-17(20(16-3-4-16)12-14-5-9-22-13-14)19-15-6-10-23-18(11-15)7-1-2-8-18/h5,9,13,15-16H,1-4,6-8,10-12H2,(H,19,21)
InChIKeyRMAZSMBTKRTJGO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.45
Rot. Bonds4

About 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea

1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea (PubChem CID 138022973) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea
PubChem CID138022973
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea
SMILESO=C(NC1CCOC2(CCCC2)C1)N(Cc1ccoc1)C1CC1
InChIInChI=1S/C18H26N2O3/c21-17(20(16-3-4-16)12-14-5-9-22-13-14)19-15-6-10-23-18(11-15)7-1-2-8-18/h5,9,13,15-16H,1-4,6-8,10-12H2,(H,19,21)
InChIKeyRMAZSMBTKRTJGO-UHFFFAOYSA-N
XLogP3.45
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea with MolForge

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Related Compounds

1-cyclopropyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 97235728
1-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)urea
CID 102560051
1-cyclobutyl-1-methyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235748
1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
CID 129347011
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 139009735
N-(1-oxaspiro[5.5]undecan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71968225
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
3-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131648359
1-cyclohexyl-1-(furan-3-ylmethyl)-3-(2-methylsulfonylethyl)urea
CID 71868361

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea (CID 138022973) is 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea is O=C(NC1CCOC2(CCCC2)C1)N(Cc1ccoc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The InChIKey is RMAZSMBTKRTJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17(20(16-3-4-16)12-14-5-9-22-13-14)19-15-6-10-23-18(11-15)7-1-2-8-18/h5,9,13,15-16H,1-4,6-8,10-12H2,(H,19,21).
What are the key properties of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea?
1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea has a molecular weight of 318.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(6-oxaspiro[4.5]decan-9-yl)urea is sourced from PubChem (CID 138022973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).