1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

C17H30N2O3 — CID 71847256

IUPAC1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCCOC1CC(NC(=O)NCC2(CCOC)CC2)C12CCC2
InChIInChI=1S/C17H30N2O3/c1-3-22-14-11-13(17(14)5-4-6-17)19-15(20)18-12-16(7-8-16)9-10-21-2/h13-14H,3-12H2,1-2H3,(H2,18,19,20)
InChIKeyGAXBIVCREVLDSD-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.45
Rot. Bonds8

About 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (PubChem CID 71847256) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
PubChem CID71847256
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCCOC1CC(NC(=O)NCC2(CCOC)CC2)C12CCC2
InChIInChI=1S/C17H30N2O3/c1-3-22-14-11-13(17(14)5-4-6-17)19-15(20)18-12-16(7-8-16)9-10-21-2/h13-14H,3-12H2,1-2H3,(H2,18,19,20)
InChIKeyGAXBIVCREVLDSD-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (CID 71847256) is 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is CCOC1CC(NC(=O)NCC2(CCOC)CC2)C12CCC2.
What is the InChIKey of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The InChIKey is GAXBIVCREVLDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-22-14-11-13(17(14)5-4-6-17)19-15(20)18-12-16(7-8-16)9-10-21-2/h13-14H,3-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea has a molecular weight of 310.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 71847256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).