1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea

C17H20N2O3 — CID 38885485

IUPAC1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
SMILESCOc1cccc(OCCNC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-21-15-8-5-9-16(12-15)22-11-10-18-17(20)19-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H2,18,19,20)
InChIKeyJHVSADPSBCASJO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.57
Rot. Bonds7

About 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea

1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea (PubChem CID 38885485) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
PubChem CID38885485
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
SMILESCOc1cccc(OCCNC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-21-15-8-5-9-16(12-15)22-11-10-18-17(20)19-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H2,18,19,20)
InChIKeyJHVSADPSBCASJO-UHFFFAOYSA-N
XLogP2.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 38223348
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-[2-(3-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971155
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112970737

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea (CID 38885485) is 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea is COc1cccc(OCCNC(=O)NCc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea?
The InChIKey is JHVSADPSBCASJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-8-5-9-16(12-15)22-11-10-18-17(20)19-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H2,18,19,20).
What are the key properties of 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea?
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 38885485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).