3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea

C15H18N2O2 — CID 5008084

IUPAC3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCc1ccc(NC(=O)N(C)Cc2ccco2)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-11-6-7-14(12(2)9-11)16-15(18)17(3)10-13-5-4-8-19-13/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyGLLXLDKCZRPUNM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.56
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea

3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 5008084) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID5008084
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCc1ccc(NC(=O)N(C)Cc2ccco2)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-11-6-7-14(12(2)9-11)16-15(18)17(3)10-13-5-4-8-19-13/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyGLLXLDKCZRPUNM-UHFFFAOYSA-N
XLogP3.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5004523
2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46388424
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 74227068
2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724318
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
3-[4-[[[2-(2,4-dimethylanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]phenyl]-2,2-dimethylpropanoic acid
CID 22708195
2-N-(2,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085064
N-(4-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526601
(2S)-4-(2,4-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 51402578

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea (CID 5008084) is 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea is Cc1ccc(NC(=O)N(C)Cc2ccco2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is GLLXLDKCZRPUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-6-7-14(12(2)9-11)16-15(18)17(3)10-13-5-4-8-19-13/h4-9H,10H2,1-3H3,(H,16,18).
What are the key properties of 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea?
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 258.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 5008084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).