1-(3-methyloxan-3-yl)-3-propylurea

C10H20N2O2 — CID 103895714

IUPAC1-(3-methyloxan-3-yl)-3-propylurea
SMILESCCCNC(=O)NC1(C)CCCOC1
InChIInChI=1S/C10H20N2O2/c1-3-6-11-9(13)12-10(2)5-4-7-14-8-10/h3-8H2,1-2H3,(H2,11,12,13)
InChIKeyVYAPFSDUKDTIPH-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds3

About 1-(3-methyloxan-3-yl)-3-propylurea

1-(3-methyloxan-3-yl)-3-propylurea (PubChem CID 103895714) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-methyloxan-3-yl)-3-propylurea.

Molecular Properties

Compound Name1-(3-methyloxan-3-yl)-3-propylurea
PubChem CID103895714
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3-methyloxan-3-yl)-3-propylurea
SMILESCCCNC(=O)NC1(C)CCCOC1
InChIInChI=1S/C10H20N2O2/c1-3-6-11-9(13)12-10(2)5-4-7-14-8-10/h3-8H2,1-2H3,(H2,11,12,13)
InChIKeyVYAPFSDUKDTIPH-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxan-3-yl)-3-propylurea?
The IUPAC name of 1-(3-methyloxan-3-yl)-3-propylurea (CID 103895714) is 1-(3-methyloxan-3-yl)-3-propylurea.
What is the SMILES notation for 1-(3-methyloxan-3-yl)-3-propylurea?
The canonical SMILES for 1-(3-methyloxan-3-yl)-3-propylurea is CCCNC(=O)NC1(C)CCCOC1.
What is the InChIKey of 1-(3-methyloxan-3-yl)-3-propylurea?
The InChIKey is VYAPFSDUKDTIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-6-11-9(13)12-10(2)5-4-7-14-8-10/h3-8H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-(3-methyloxan-3-yl)-3-propylurea?
1-(3-methyloxan-3-yl)-3-propylurea has a molecular weight of 200.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxan-3-yl)-3-propylurea is sourced from PubChem (CID 103895714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).