1-cyclopropyl-1-(oxan-4-yl)-3-propylurea

C12H22N2O2 — CID 110874794

IUPAC1-cyclopropyl-1-(oxan-4-yl)-3-propylurea
SMILESCCCNC(=O)N(C1CCOCC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-2-7-13-12(15)14(10-3-4-10)11-5-8-16-9-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyYFJQGGYVCUJNDT-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea

1-cyclopropyl-1-(oxan-4-yl)-3-propylurea (PubChem CID 110874794) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-cyclopropyl-1-(oxan-4-yl)-3-propylurea
PubChem CID110874794
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclopropyl-1-(oxan-4-yl)-3-propylurea
SMILESCCCNC(=O)N(C1CCOCC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-2-7-13-12(15)14(10-3-4-10)11-5-8-16-9-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyYFJQGGYVCUJNDT-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea 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-[3-(Oxan-4-yloxy)propyl]-3-propan-2-ylurea
CID 71994501
1-(Azetidin-3-YL)-1-(oxan-4-YL)-3-(propan-2-YL)urea
CID 86820504
4-[Methyl(tetrahydro-2H-pyran-4-YL)amino]-N~1~-propyltetrahydro-1(2H)-pyridinecarboxamide
CID 91916171
N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide
CID 110197187
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-(oxan-4-yl)urea
CID 72022929
1,1-Bis(2,2-dimethylpropyl)-3-(oxan-4-yl)urea
CID 75443022
1-Methyl-3-(oxan-4-yl)urea
CID 271800
1-(Oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
CID 90554858
3-Ethyl-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554859
3-(2-Methoxyethyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554860
1-(2-Fluoroethyl)-3-(oxan-4-yl)urea
CID 130659072
N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 43611013

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea?
The IUPAC name of 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea (CID 110874794) is 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea.
What is the SMILES notation for 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea?
The canonical SMILES for 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea is CCCNC(=O)N(C1CCOCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea?
The InChIKey is YFJQGGYVCUJNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-7-13-12(15)14(10-3-4-10)11-5-8-16-9-6-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea?
1-cyclopropyl-1-(oxan-4-yl)-3-propylurea has a molecular weight of 226.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(oxan-4-yl)-3-propylurea is sourced from PubChem (CID 110874794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).