1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea

C15H22N2O3 — CID 56827093

IUPAC1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea
SMILESCc1c(NC(=O)NCCO)cccc1OC1CCCC1
InChIInChI=1S/C15H22N2O3/c1-11-13(17-15(19)16-9-10-18)7-4-8-14(11)20-12-5-2-3-6-12/h4,7-8,12,18H,2-3,5-6,9-10H2,1H3,(H2,16,17,19)
InChIKeyFRTOGNDUDKIKKL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.43
Rot. Bonds5

About 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea

1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea (PubChem CID 56827093) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea
PubChem CID56827093
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea
SMILESCc1c(NC(=O)NCCO)cccc1OC1CCCC1
InChIInChI=1S/C15H22N2O3/c1-11-13(17-15(19)16-9-10-18)7-4-8-14(11)20-12-5-2-3-6-12/h4,7-8,12,18H,2-3,5-6,9-10H2,1H3,(H2,16,17,19)
InChIKeyFRTOGNDUDKIKKL-UHFFFAOYSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea (CID 56827093) is 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea is Cc1c(NC(=O)NCCO)cccc1OC1CCCC1.
What is the InChIKey of 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is FRTOGNDUDKIKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-13(17-15(19)16-9-10-18)7-4-8-14(11)20-12-5-2-3-6-12/h4,7-8,12,18H,2-3,5-6,9-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea?
1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxy-2-methylphenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 56827093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).