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

C18H26N2O2 — CID 112974844

IUPAC1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
SMILESO=C(NCCOc1ccc2c(c1)CCCC2)NC1CCCC1
InChIInChI=1S/C18H26N2O2/c21-18(20-16-7-3-4-8-16)19-11-12-22-17-10-9-14-5-1-2-6-15(14)13-17/h9-10,13,16H,1-8,11-12H2,(H2,19,20,21)
InChIKeyXGIUYFLCNKWXAE-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.19
Rot. Bonds5

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

1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea (PubChem CID 112974844) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
PubChem CID112974844
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
SMILESO=C(NCCOc1ccc2c(c1)CCCC2)NC1CCCC1
InChIInChI=1S/C18H26N2O2/c21-18(20-16-7-3-4-8-16)19-11-12-22-17-10-9-14-5-1-2-6-15(14)13-17/h9-10,13,16H,1-8,11-12H2,(H2,19,20,21)
InChIKeyXGIUYFLCNKWXAE-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea (CID 112974844) is 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea is O=C(NCCOc1ccc2c(c1)CCCC2)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
The InChIKey is XGIUYFLCNKWXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(20-16-7-3-4-8-16)19-11-12-22-17-10-9-14-5-1-2-6-15(14)13-17/h9-10,13,16H,1-8,11-12H2,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea?
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea has a molecular weight of 302.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea is sourced from PubChem (CID 112974844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).