1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea

C19H18N2O2 — CID 10357804

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H18N2O2/c22-16-10-9-15-7-4-8-18(17(15)13-16)21-19(23)20-12-11-14-5-2-1-3-6-14/h1-10,13,22H,11-12H2,(H2,20,21,23)
InChIKeyGEUKISVKZZXBDD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.91
Rot. Bonds4

About 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea

1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea (PubChem CID 10357804) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea
PubChem CID10357804
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C19H18N2O2/c22-16-10-9-15-7-4-8-18(17(15)13-16)21-19(23)20-12-11-14-5-2-1-3-6-14/h1-10,13,22H,11-12H2,(H2,20,21,23)
InChIKeyGEUKISVKZZXBDD-UHFFFAOYSA-N
XLogP3.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea (CID 10357804) is 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea?
The InChIKey is GEUKISVKZZXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-16-10-9-15-7-4-8-18(17(15)13-16)21-19(23)20-12-11-14-5-2-1-3-6-14/h1-10,13,22H,11-12H2,(H2,20,21,23).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea?
1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea has a molecular weight of 306.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 10357804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).