1-naphthalen-1-yl-3-(2-phenylethoxy)urea

C19H18N2O2 — CID 5119624

IUPAC1-naphthalen-1-yl-3-(2-phenylethoxy)urea
SMILESO=C(NOCCc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C19H18N2O2/c22-19(21-23-14-13-15-7-2-1-3-8-15)20-18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2,(H2,20,21,22)
InChIKeyZHIFJJDJBOKWEF-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.14
Rot. Bonds5

About 1-naphthalen-1-yl-3-(2-phenylethoxy)urea

1-naphthalen-1-yl-3-(2-phenylethoxy)urea (PubChem CID 5119624) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(2-phenylethoxy)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(2-phenylethoxy)urea
PubChem CID5119624
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-naphthalen-1-yl-3-(2-phenylethoxy)urea
SMILESO=C(NOCCc1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C19H18N2O2/c22-19(21-23-14-13-15-7-2-1-3-8-15)20-18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2,(H2,20,21,22)
InChIKeyZHIFJJDJBOKWEF-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-3-[3-(2-phenylethoxy)propyl]urea
CID 52666869
1-naphthalen-1-yl-3-prop-2-enoxyurea
CID 4604383
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
ethyl 2-benzyl-3-(naphthalen-1-ylamino)-3-oxopropanoate
CID 2836856
3-phenylpropyl 5-(naphthalen-1-ylcarbamothioylamino)-5-oxopentanoate
CID 4923161
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(2-phenylethoxy)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(2-phenylethoxy)urea (CID 5119624) is 1-naphthalen-1-yl-3-(2-phenylethoxy)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(2-phenylethoxy)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(2-phenylethoxy)urea is O=C(NOCCc1ccccc1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(2-phenylethoxy)urea?
The InChIKey is ZHIFJJDJBOKWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(21-23-14-13-15-7-2-1-3-8-15)20-18-12-6-10-16-9-4-5-11-17(16)18/h1-12H,13-14H2,(H2,20,21,22).
What are the key properties of 1-naphthalen-1-yl-3-(2-phenylethoxy)urea?
1-naphthalen-1-yl-3-(2-phenylethoxy)urea has a molecular weight of 306.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(2-phenylethoxy)urea is sourced from PubChem (CID 5119624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).