1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea

C16H28N2O — CID 86969896

IUPAC1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea
SMILESO=C(NCC1CC1)NC(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H28N2O/c19-16(17-11-12-9-10-12)18-15(13-5-1-2-6-13)14-7-3-4-8-14/h12-15H,1-11H2,(H2,17,18,19)
InChIKeyCJBAVUFFOJCFBK-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.44
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea

1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea (PubChem CID 86969896) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea
PubChem CID86969896
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea
SMILESO=C(NCC1CC1)NC(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H28N2O/c19-16(17-11-12-9-10-12)18-15(13-5-1-2-6-13)14-7-3-4-8-14/h12-15H,1-11H2,(H2,17,18,19)
InChIKeyCJBAVUFFOJCFBK-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea (CID 86969896) is 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea is O=C(NCC1CC1)NC(C1CCCC1)C1CCCC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea?
The InChIKey is CJBAVUFFOJCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(17-11-12-9-10-12)18-15(13-5-1-2-6-13)14-7-3-4-8-14/h12-15H,1-11H2,(H2,17,18,19).
What are the key properties of 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea?
1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea has a molecular weight of 264.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(dicyclopentylmethyl)urea is sourced from PubChem (CID 86969896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).