3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea

C20H30N2O3 — CID 86999398

IUPAC3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O3/c1-24-6-4-22(13-18-3-2-5-25-18)19(23)21-14-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-3,5,15-17H,4,6-14H2,1H3,(H,21,23)
InChIKeyQGBSVTQNAHWEEQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.65
Rot. Bonds7

About 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea

3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea (PubChem CID 86999398) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
PubChem CID86999398
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O3/c1-24-6-4-22(13-18-3-2-5-25-18)19(23)21-14-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-3,5,15-17H,4,6-14H2,1H3,(H,21,23)
InChIKeyQGBSVTQNAHWEEQ-UHFFFAOYSA-N
XLogP3.65
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.65
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
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 4021394
3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87008094
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 3452297
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87000370
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]urea
CID 78888450
4-(carbamoylamino)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 32993957
3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86943873
3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86793421
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea (CID 86999398) is 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea is COCCN(Cc1ccco1)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The InChIKey is QGBSVTQNAHWEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-6-4-22(13-18-3-2-5-25-18)19(23)21-14-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-3,5,15-17H,4,6-14H2,1H3,(H,21,23).
What are the key properties of 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea has a molecular weight of 346.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 86999398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).