1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea

C14H16N2O2 — CID 17399631

IUPAC1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H16N2O2/c1-11-4-6-12(7-5-11)9-15-14(17)16-10-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H2,15,16,17)
InChIKeyALLSHWAXFHYBBD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.59
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea

1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 17399631) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID17399631
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H16N2O2/c1-11-4-6-12(7-5-11)9-15-14(17)16-10-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H2,15,16,17)
InChIKeyALLSHWAXFHYBBD-UHFFFAOYSA-N
XLogP2.59
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea
CID 99823433
2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide
CID 42703820
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 60542397

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea (CID 17399631) is 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is ALLSHWAXFHYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11-4-6-12(7-5-11)9-15-14(17)16-10-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea?
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 244.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 17399631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).