1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea

C16H24N2O2 — CID 110774513

IUPAC1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCC(C)(C)Oc1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-14-10-8-13(9-11-14)18-15(19)17-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyQEBNJUSWWDGMTC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.93
Rot. Bonds3

About 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea

1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea (PubChem CID 110774513) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
PubChem CID110774513
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
SMILESCC(C)(C)Oc1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-14-10-8-13(9-11-14)18-15(19)17-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyQEBNJUSWWDGMTC-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-cyclohexyl-3-[4-[(2R)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propoxy]phenyl]urea
CID 102207671

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The IUPAC name of 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea (CID 110774513) is 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea is CC(C)(C)Oc1ccc(NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
The InChIKey is QEBNJUSWWDGMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-14-10-8-13(9-11-14)18-15(19)17-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea?
1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea has a molecular weight of 276.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea is sourced from PubChem (CID 110774513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).