1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

C16H24N2O3 — CID 110894513

IUPAC1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-16(2,11-19)18-15(20)17-12-7-9-14(10-8-12)21-13-5-3-4-6-13/h7-10,13,19H,3-6,11H2,1-2H3,(H2,17,18,20)
InChIKeyHAUNYRKXTYMLJP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 110894513) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID110894513
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-16(2,11-19)18-15(20)17-12-7-9-14(10-8-12)21-13-5-3-4-6-13/h7-10,13,19H,3-6,11H2,1-2H3,(H2,17,18,20)
InChIKeyHAUNYRKXTYMLJP-UHFFFAOYSA-N
XLogP2.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyloxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000518
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
2-hydroxyethyl N-(4-cyclopentyloxyphenyl)carbamate
CID 79346417
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
(2R)-N-(4-cyclopentyloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734929
4-methyl-4-[[4-(oxolan-3-yloxy)phenyl]carbamoylamino]pentanoic acid
CID 122085302
2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715
1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60781787
3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
CID 113385178
N-(4-cyclopentyloxyphenyl)-4-hydroxypentanamide
CID 79200161
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 110894513) is 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is CC(C)(CO)NC(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is HAUNYRKXTYMLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,11-19)18-15(20)17-12-7-9-14(10-8-12)21-13-5-3-4-6-13/h7-10,13,19H,3-6,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 110894513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).