1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea

C25H28N2O2 — CID 1075214

IUPAC1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C25H28N2O2/c1-19(2)21-12-14-22(15-13-21)25(3,4)26-24(28)27(18-23-11-8-16-29-23)17-20-9-6-5-7-10-20/h5-16H,1,17-18H2,2-4H3,(H,26,28)
InChIKeyXNIUJNBFHCAGOF-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.96
Rot. Bonds7

About 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 1075214) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID1075214
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C25H28N2O2/c1-19(2)21-12-14-22(15-13-21)25(3,4)26-24(28)27(18-23-11-8-16-29-23)17-20-9-6-5-7-10-20/h5-16H,1,17-18H2,2-4H3,(H,26,28)
InChIKeyXNIUJNBFHCAGOF-UHFFFAOYSA-N
XLogP5.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 1075214) is 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1ccc(C(C)(C)NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is XNIUJNBFHCAGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19(2)21-12-14-22(15-13-21)25(3,4)26-24(28)27(18-23-11-8-16-29-23)17-20-9-6-5-7-10-20/h5-16H,1,17-18H2,2-4H3,(H,26,28).
What are the key properties of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 388.51 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 1075214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).