1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea

C18H24N2O3 — CID 86998774

IUPAC1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
SMILESCOCCN(Cc1ccco1)C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C18H24N2O3/c1-14-7-4-5-9-17(14)15(2)19-18(21)20(10-12-22-3)13-16-8-6-11-23-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,19,21)
InChIKeyGYVCZHIURRAFMV-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.51
Rot. Bonds7

About 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea

1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea (PubChem CID 86998774) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
PubChem CID86998774
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
SMILESCOCCN(Cc1ccco1)C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C18H24N2O3/c1-14-7-4-5-9-17(14)15(2)19-18(21)20(10-12-22-3)13-16-8-6-11-23-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,19,21)
InChIKeyGYVCZHIURRAFMV-UHFFFAOYSA-N
XLogP3.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
1-butyl-1-ethyl-3-[1-(2-methylphenyl)ethyl]urea
CID 86998783
3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86793421
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4312490
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873434
3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1,1-bis(furan-2-ylmethyl)urea
CID 112831926
3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87008094
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 76867605
(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 60553181

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea (CID 86998774) is 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea is COCCN(Cc1ccco1)C(=O)NC(C)c1ccccc1C.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea?
The InChIKey is GYVCZHIURRAFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14-7-4-5-9-17(14)15(2)19-18(21)20(10-12-22-3)13-16-8-6-11-23-16/h4-9,11,15H,10,12-13H2,1-3H3,(H,19,21).
What are the key properties of 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea?
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea has a molecular weight of 316.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 86998774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).