1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C19H22N2O2 — CID 2957245

IUPAC1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCCOc1ccccc1NC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-2-23-18-13-6-5-11-17(18)21-19(22)20-16-12-7-9-14-8-3-4-10-15(14)16/h3-6,8,10-11,13,16H,2,7,9,12H2,1H3,(H2,20,21,22)
InChIKeyYQRRPWWRBOFEPG-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.28
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 2957245) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID2957245
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCCOc1ccccc1NC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-2-23-18-13-6-5-11-17(18)21-19(22)20-16-12-7-9-14-8-3-4-10-15(14)16/h3-6,8,10-11,13,16H,2,7,9,12H2,1H3,(H2,20,21,22)
InChIKeyYQRRPWWRBOFEPG-UHFFFAOYSA-N
XLogP4.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyphenyl)-3-naphthalen-2-ylurea
CID 443080
1-(2-Methoxyphenyl)-3-naphthalen-1-ylurea
CID 768067
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11432177
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
1-Benzyl-3-(2-ethoxy-phenyl)-thiourea
CID 698382
1,1-Dibenzyl-3-(2-methoxyphenyl)urea
CID 3595656
1,1-Dibenzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4167053
1-[2-(4-Fluoro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10915843
1-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11025578
1-(1-Benzyl-propyl)-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11760541
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
1-(2-Ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
CID 971614

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 2957245) is 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CCOc1ccccc1NC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is YQRRPWWRBOFEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-18-13-6-5-11-17(18)21-19(22)20-16-12-7-9-14-8-3-4-10-15(14)16/h3-6,8,10-11,13,16H,2,7,9,12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 310.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 2957245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).