1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea

C15H22N2O2 — CID 114539712

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
SMILESCC1CCC(NC(=O)Nc2ccc(C(C)O)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-10-3-6-14(9-10)17-15(19)16-13-7-4-12(5-8-13)11(2)18/h4-5,7-8,10-11,14,18H,3,6,9H2,1-2H3,(H2,16,17,19)
InChIKeyDAUOJZVNGDLQQX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.05
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea

1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea (PubChem CID 114539712) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
PubChem CID114539712
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
SMILESCC1CCC(NC(=O)Nc2ccc(C(C)O)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-10-3-6-14(9-10)17-15(19)16-13-7-4-12(5-8-13)11(2)18/h4-5,7-8,10-11,14,18H,3,6,9H2,1-2H3,(H2,16,17,19)
InChIKeyDAUOJZVNGDLQQX-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea (CID 114539712) is 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea is CC1CCC(NC(=O)Nc2ccc(C(C)O)cc2)C1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea?
The InChIKey is DAUOJZVNGDLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-3-6-14(9-10)17-15(19)16-13-7-4-12(5-8-13)11(2)18/h4-5,7-8,10-11,14,18H,3,6,9H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea has a molecular weight of 262.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea is sourced from PubChem (CID 114539712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).