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

C16H29N3O2 — CID 71985666

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NCCN(C)C2CC2)C12CCC2
InChIInChI=1S/C16H29N3O2/c1-3-21-14-11-13(16(14)7-4-8-16)18-15(20)17-9-10-19(2)12-5-6-12/h12-14H,3-11H2,1-2H3,(H2,17,18,20)
InChIKeyKPYHKZOZTORFLX-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.73
Rot. Bonds7

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

1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (PubChem CID 71985666) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
PubChem CID71985666
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
SMILESCCOC1CC(NC(=O)NCCN(C)C2CC2)C12CCC2
InChIInChI=1S/C16H29N3O2/c1-3-21-14-11-13(16(14)7-4-8-16)18-15(20)17-9-10-19(2)12-5-6-12/h12-14H,3-11H2,1-2H3,(H2,17,18,20)
InChIKeyKPYHKZOZTORFLX-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea (CID 71985666) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is CCOC1CC(NC(=O)NCCN(C)C2CC2)C12CCC2.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
The InChIKey is KPYHKZOZTORFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-21-14-11-13(16(14)7-4-8-16)18-15(20)17-9-10-19(2)12-5-6-12/h12-14H,3-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea?
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea has a molecular weight of 295.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea is sourced from PubChem (CID 71985666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).