1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C18H22N2O3 — CID 118763639

IUPAC1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)N(CCO)Cc1ccco1
InChIInChI=1S/C18H22N2O3/c21-11-10-20(13-15-7-4-12-23-15)18(22)19-17-9-3-6-14-5-1-2-8-16(14)17/h3-4,6-7,9,12,21H,1-2,5,8,10-11,13H2,(H,19,22)
InChIKeyLJYFPKWMYIXVNU-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.18
Rot. Bonds5

About 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 118763639) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID118763639
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2c1CCCC2)N(CCO)Cc1ccco1
InChIInChI=1S/C18H22N2O3/c21-11-10-20(13-15-7-4-12-23-15)18(22)19-17-9-3-6-14-5-1-2-8-16(14)17/h3-4,6-7,9,12,21H,1-2,5,8,10-11,13H2,(H,19,22)
InChIKeyLJYFPKWMYIXVNU-UHFFFAOYSA-N
XLogP3.18
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
3-[(2,4-dichlorophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42699899
3-(3-chloro-2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577089
1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111578848
(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
CID 125443269
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylurea
CID 42702156
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 46960877
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 60577749
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 118763639) is 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(Nc1cccc2c1CCCC2)N(CCO)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is LJYFPKWMYIXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-11-10-20(13-15-7-4-12-23-15)18(22)19-17-9-3-6-14-5-1-2-8-16(14)17/h3-4,6-7,9,12,21H,1-2,5,8,10-11,13H2,(H,19,22).
What are the key properties of 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 314.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 118763639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).