1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C18H26N2O2 — CID 2788461

IUPAC1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)14-7-5-8-15(11-14)18(3,4)20-17(21)19-12-16-9-6-10-22-16/h5,7-8,11,16H,1,6,9-10,12H2,2-4H3,(H2,19,20,21)
InChIKeyXPZPMQJWSFIUPI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.43
Rot. Bonds5

About 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 2788461) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID2788461
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCC2CCCO2)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)14-7-5-8-15(11-14)18(3,4)20-17(21)19-12-16-9-6-10-22-16/h5,7-8,11,16H,1,6,9-10,12H2,2-4H3,(H2,19,20,21)
InChIKeyXPZPMQJWSFIUPI-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97459960
1-Benzyl-3-(oxolan-2-ylmethyl)urea
CID 10633458
1-Ethyl-3-[4-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 2788461) is 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NCC2CCCO2)c1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is XPZPMQJWSFIUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)14-7-5-8-15(11-14)18(3,4)20-17(21)19-12-16-9-6-10-22-16/h5,7-8,11,16H,1,6,9-10,12H2,2-4H3,(H2,19,20,21).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 302.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 2788461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).