1-[(4-ethoxyphenyl)methyl]-3-phenylurea

C16H18N2O2 — CID 757706

IUPAC1-[(4-ethoxyphenyl)methyl]-3-phenylurea
SMILESCCOc1ccc(CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-10-8-13(9-11-15)12-17-16(19)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H2,17,18,19)
InChIKeyJRALGXVGWNCFFV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-3-phenylurea

1-[(4-ethoxyphenyl)methyl]-3-phenylurea (PubChem CID 757706) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-phenylurea
PubChem CID757706
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-phenylurea
SMILESCCOc1ccc(CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-20-15-10-8-13(9-11-15)12-17-16(19)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H2,17,18,19)
InChIKeyJRALGXVGWNCFFV-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Florbetaben (18F)
CID 11501341
Difenoxuron
CID 26576
N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
Florbetaben unlabelled
CID 53257383
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
N-(4-Methoxybenzyl)aniline
CID 408377
1-Benzyl-3-[(4-methoxyphenyl)methyl]urea
CID 15323520
AG-26
CID 727787
AAE-M-PBP-amine
CID 24763223
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-phenylurea (CID 757706) is 1-[(4-ethoxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-phenylurea is CCOc1ccc(CNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-phenylurea?
The InChIKey is JRALGXVGWNCFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-15-10-8-13(9-11-15)12-17-16(19)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-phenylurea?
1-[(4-ethoxyphenyl)methyl]-3-phenylurea has a molecular weight of 270.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 757706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).