3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea

C18H24N2O3 — CID 3882072

IUPAC3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H24N2O3/c1-13-5-7-16(11-14(13)2)19-18(21)20(9-10-22-4)12-17-8-6-15(3)23-17/h5-8,11H,9-10,12H2,1-4H3,(H,19,21)
InChIKeyXNFFZUFBQIGHQC-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.89
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea

3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 3882072) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID3882072
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H24N2O3/c1-13-5-7-16(11-14(13)2)19-18(21)20(9-10-22-4)12-17-8-6-15(3)23-17/h5-8,11H,9-10,12H2,1-4H3,(H,19,21)
InChIKeyXNFFZUFBQIGHQC-UHFFFAOYSA-N
XLogP3.89
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]urea
CID 1058724
3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 42773322
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3379104
2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5101198
N-benzyl-2-[2-methoxyethyl-[(4-nitrophenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3274981
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3970624
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 42773278
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5060410
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5142066
3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431069
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea (CID 3882072) is 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea is COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is XNFFZUFBQIGHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-5-7-16(11-14(13)2)19-18(21)20(9-10-22-4)12-17-8-6-15(3)23-17/h5-8,11H,9-10,12H2,1-4H3,(H,19,21).
What are the key properties of 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea?
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 316.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 3882072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).