1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea

C18H28N2O3 — CID 111452989

IUPAC1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(10-14(2)21)12-19-18(22)20-15-6-5-9-17(11-15)23-16-7-3-4-8-16/h5-6,9,11,13-14,16,21H,3-4,7-8,10,12H2,1-2H3,(H2,19,20,22)
InChIKeyHJRWVRJKOSOPDH-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.54
Rot. Bonds7

About 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea

1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea (PubChem CID 111452989) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
PubChem CID111452989
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea
SMILESCC(O)CC(C)CNC(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-13(10-14(2)21)12-19-18(22)20-15-6-5-9-17(11-15)23-16-7-3-4-8-16/h5-6,9,11,13-14,16,21H,3-4,7-8,10,12H2,1-2H3,(H2,19,20,22)
InChIKeyHJRWVRJKOSOPDH-UHFFFAOYSA-N
XLogP3.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
5-[(3-cyclopentyloxyphenyl)methylamino]-4-methylpentan-2-ol
CID 111448819
1-[3-(difluoromethyl)phenyl]-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95981533
2-amino-N-(3-cyclopentyloxyphenyl)propanamide
CID 82044663
1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
CID 111453401
1-(3,5-dimethoxyphenyl)-3-[(2R,4R)-4-hydroxy-2-methylpentyl]urea
CID 95635554
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
N-(3-cyclopentyloxyphenyl)-2-phenoxypropanamide
CID 46579795
1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933001
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
CID 97453321

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea?
The IUPAC name of 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea (CID 111452989) is 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea?
The canonical SMILES for 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea is CC(O)CC(C)CNC(=O)Nc1cccc(OC2CCCC2)c1.
What is the InChIKey of 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea?
The InChIKey is HJRWVRJKOSOPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(10-14(2)21)12-19-18(22)20-15-6-5-9-17(11-15)23-16-7-3-4-8-16/h5-6,9,11,13-14,16,21H,3-4,7-8,10,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea?
1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea has a molecular weight of 320.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxyphenyl)-3-(4-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 111452989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).