1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea

C16H28N2O3 — CID 84598749

IUPAC1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea
SMILESCC(C1CC1)N(C)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H28N2O3/c1-12(13-6-7-13)18(2)15(19)17-10-14-11-20-16(21-14)8-4-3-5-9-16/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyRIHLNXBPLSTQSG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.50
Rot. Bonds4

About 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea

1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea (PubChem CID 84598749) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea
PubChem CID84598749
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea
SMILESCC(C1CC1)N(C)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C16H28N2O3/c1-12(13-6-7-13)18(2)15(19)17-10-14-11-20-16(21-14)8-4-3-5-9-16/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyRIHLNXBPLSTQSG-UHFFFAOYSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea (CID 84598749) is 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea is CC(C1CC1)N(C)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea?
The InChIKey is RIHLNXBPLSTQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(13-6-7-13)18(2)15(19)17-10-14-11-20-16(21-14)8-4-3-5-9-16/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea?
1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea has a molecular weight of 296.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 84598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).