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

C13H24N2O2 — CID 58376710

IUPAC1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1CCOCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-2-7-15(12-3-4-12)13(16)14-10-11-5-8-17-9-6-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyAAHMVGYXELKWBW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds5

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

1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea (PubChem CID 58376710) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea
PubChem CID58376710
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea
SMILESCCCN(C(=O)NCC1CCOCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-2-7-15(12-3-4-12)13(16)14-10-11-5-8-17-9-6-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyAAHMVGYXELKWBW-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea?
The IUPAC name of 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea (CID 58376710) is 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea.
What is the SMILES notation for 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea?
The canonical SMILES for 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea is CCCN(C(=O)NCC1CCOCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea?
The InChIKey is AAHMVGYXELKWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-7-15(12-3-4-12)13(16)14-10-11-5-8-17-9-6-11/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea?
1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea has a molecular weight of 240.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-propylurea is sourced from PubChem (CID 58376710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).