1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea

C18H24N2O2 — CID 86952267

IUPAC1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
SMILESCc1cc(CNC(=O)NC(c2ccccc2)C(C)C)c(C)o1
InChIInChI=1S/C18H24N2O2/c1-12(2)17(15-8-6-5-7-9-15)20-18(21)19-11-16-10-13(3)22-14(16)4/h5-10,12,17H,11H2,1-4H3,(H2,19,20,21)
InChIKeyQQPBPWMZXFIHGM-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.09
Rot. Bonds5

About 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea

1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea (PubChem CID 86952267) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
PubChem CID86952267
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
SMILESCc1cc(CNC(=O)NC(c2ccccc2)C(C)C)c(C)o1
InChIInChI=1S/C18H24N2O2/c1-12(2)17(15-8-6-5-7-9-15)20-18(21)19-11-16-10-13(3)22-14(16)4/h5-10,12,17H,11H2,1-4H3,(H2,19,20,21)
InChIKeyQQPBPWMZXFIHGM-UHFFFAOYSA-N
XLogP4.09
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111335746
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
CID 86950294
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450680
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71990077
N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
CID 71960718
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
CID 86952615
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 86952438
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-(N-methylanilino)propyl]urea
CID 86952276
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]urea
CID 86952590

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea (CID 86952267) is 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea is Cc1cc(CNC(=O)NC(c2ccccc2)C(C)C)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea?
The InChIKey is QQPBPWMZXFIHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)17(15-8-6-5-7-9-15)20-18(21)19-11-16-10-13(3)22-14(16)4/h5-10,12,17H,11H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea?
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea has a molecular weight of 300.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea is sourced from PubChem (CID 86952267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).