1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea

C21H26N2O3 — CID 112974871

IUPAC1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
SMILESCOc1ccccc1CNC(=O)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C21H26N2O3/c1-25-20-9-5-4-8-18(20)15-23-21(24)22-12-13-26-19-11-10-16-6-2-3-7-17(16)14-19/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H2,22,23,24)
InChIKeyHUZJGSUYXSPLFE-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.45
Rot. Bonds7

About 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea

1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea (PubChem CID 112974871) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
PubChem CID112974871
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
SMILESCOc1ccccc1CNC(=O)NCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C21H26N2O3/c1-25-20-9-5-4-8-18(20)15-23-21(24)22-12-13-26-19-11-10-16-6-2-3-7-17(16)14-19/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H2,22,23,24)
InChIKeyHUZJGSUYXSPLFE-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.45
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-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2-methoxyphenyl)urea
CID 112974776
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032
1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974940
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113101463
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
2-(2-methylphenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101580
1-[(2-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974424
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181147
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea (CID 112974871) is 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea is COc1ccccc1CNC(=O)NCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The InChIKey is HUZJGSUYXSPLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-20-9-5-4-8-18(20)15-23-21(24)22-12-13-26-19-11-10-16-6-2-3-7-17(16)14-19/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H2,22,23,24).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea has a molecular weight of 354.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea is sourced from PubChem (CID 112974871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).