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

C15H26N2O3 — CID 75376197

IUPAC1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCOC1CC(NC(=O)NCC2(CO)CC2)C12CCC2
InChIInChI=1S/C15H26N2O3/c1-2-20-12-8-11(15(12)4-3-5-15)17-13(19)16-9-14(10-18)6-7-14/h11-12,18H,2-10H2,1H3,(H2,16,17,19)
InChIKeyAQXCIBYXZGRUIA-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.41
Rot. Bonds6

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

1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 75376197) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID75376197
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCOC1CC(NC(=O)NCC2(CO)CC2)C12CCC2
InChIInChI=1S/C15H26N2O3/c1-2-20-12-8-11(15(12)4-3-5-15)17-13(19)16-9-14(10-18)6-7-14/h11-12,18H,2-10H2,1H3,(H2,16,17,19)
InChIKeyAQXCIBYXZGRUIA-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-Cyclopropyl-3-(3-ethoxyspiro[3.4]octan-1-yl)urea
CID 71926299
1-[2-[Cyclopropyl(methyl)amino]ethyl]-3-(3-ethoxyspiro[3.3]heptan-1-yl)urea
CID 71985666
1-(3-Ethoxyspiro[3.4]octan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 75376201
3-(2,2-Diethyl-3-methoxy-4-methylcyclobutyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 91651113
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 102553591
1-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]urea
CID 164632389
1-(3-Ethoxyspiro[3.4]octan-1-yl)-3-(4,4,4-trifluoro-3-hydroxybutyl)urea
CID 71989753
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 97584085
1-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 97584087
1-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 99847319
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]urea
CID 99847321
1-(2,2-Difluoroethyl)-3-(3-methoxyspiro[3.3]heptan-1-yl)urea
CID 154736653

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 75376197) is 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is CCOC1CC(NC(=O)NCC2(CO)CC2)C12CCC2.
What is the InChIKey of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is AQXCIBYXZGRUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-12-8-11(15(12)4-3-5-15)17-13(19)16-9-14(10-18)6-7-14/h11-12,18H,2-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 282.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 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-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 75376197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).