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

C21H26N2O4 — CID 112974940

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCCOc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H26N2O4/c1-25-17-9-10-20(26-2)19(14-17)23-21(24)22-11-12-27-18-8-7-15-5-3-4-6-16(15)13-18/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,22,23,24)
InChIKeyCZWJMOKHOHXNIP-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.78
Rot. Bonds7

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

1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea (PubChem CID 112974940) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
PubChem CID112974940
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCCOc2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C21H26N2O4/c1-25-17-9-10-20(26-2)19(14-17)23-21(24)22-11-12-27-18-8-7-15-5-3-4-6-16(15)13-18/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,22,23,24)
InChIKeyCZWJMOKHOHXNIP-UHFFFAOYSA-N
XLogP3.78
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methyl]-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974871
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906
ethyl 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylcarbamoylamino]benzoate
CID 112974963
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112974787
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 34852480
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113101463

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea (CID 112974940) is 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea is COc1ccc(OC)c(NC(=O)NCCOc2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The InChIKey is CZWJMOKHOHXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-17-9-10-20(26-2)19(14-17)23-21(24)22-11-12-27-18-8-7-15-5-3-4-6-16(15)13-18/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea has a molecular weight of 370.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea is sourced from PubChem (CID 112974940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).