1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea

C17H26N2O2 — CID 110775776

IUPAC1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)19-17(20)18-12-11-14-7-9-16(10-8-14)21-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyRUJHIEOZYWQNJI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.26
Rot. Bonds6

About 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea

1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea (PubChem CID 110775776) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea
PubChem CID110775776
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)19-17(20)18-12-11-14-7-9-16(10-8-14)21-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyRUJHIEOZYWQNJI-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-cyclopentyloxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788360
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4-(4-cyclopentyloxyphenyl)butan-2-amine
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3-(4-cyclopentyloxyphenyl)propanehydrazide
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CID 43279731
1-(4-cyclopentyloxyphenyl)propan-2-ol
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1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea (CID 110775776) is 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea?
The InChIKey is RUJHIEOZYWQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)19-17(20)18-12-11-14-7-9-16(10-8-14)21-15-5-3-4-6-15/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea?
1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea has a molecular weight of 290.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110775776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).