[3-(4-methoxyphenoxy)cyclopentyl]urea

C13H18N2O3 — CID 123644066

IUPAC[3-(4-methoxyphenoxy)cyclopentyl]urea
SMILESCOc1ccc(OC2CCC(NC(N)=O)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-10-4-6-11(7-5-10)18-12-3-2-9(8-12)15-13(14)16/h4-7,9,12H,2-3,8H2,1H3,(H3,14,15,16)
InChIKeyCVSPWVGTACFUFV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.66
Rot. Bonds4

About [3-(4-methoxyphenoxy)cyclopentyl]urea

[3-(4-methoxyphenoxy)cyclopentyl]urea (PubChem CID 123644066) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [3-(4-methoxyphenoxy)cyclopentyl]urea.

Molecular Properties

Compound Name[3-(4-methoxyphenoxy)cyclopentyl]urea
PubChem CID123644066
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[3-(4-methoxyphenoxy)cyclopentyl]urea
SMILESCOc1ccc(OC2CCC(NC(N)=O)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-10-4-6-11(7-5-10)18-12-3-2-9(8-12)15-13(14)16/h4-7,9,12H,2-3,8H2,1H3,(H3,14,15,16)
InChIKeyCVSPWVGTACFUFV-UHFFFAOYSA-N
XLogP1.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenoxy)cyclohexan-1-amine
CID 16756065
2-(4-methoxyphenoxy)-N-(3-methylcyclopentyl)propanamide
CID 114549547
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 169188311
4-(4-methoxyphenoxy)cyclohexan-1-one
CID 22467175
[(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentyl]carbamic acid
CID 146194980
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
3-[4-(2-methoxyethyl)phenoxy]-N-methylcyclopentan-1-amine
CID 79642909
(E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide
CID 90678958
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 13394768

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenoxy)cyclopentyl]urea?
The IUPAC name of [3-(4-methoxyphenoxy)cyclopentyl]urea (CID 123644066) is [3-(4-methoxyphenoxy)cyclopentyl]urea.
What is the SMILES notation for [3-(4-methoxyphenoxy)cyclopentyl]urea?
The canonical SMILES for [3-(4-methoxyphenoxy)cyclopentyl]urea is COc1ccc(OC2CCC(NC(N)=O)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenoxy)cyclopentyl]urea?
The InChIKey is CVSPWVGTACFUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-4-6-11(7-5-10)18-12-3-2-9(8-12)15-13(14)16/h4-7,9,12H,2-3,8H2,1H3,(H3,14,15,16).
What are the key properties of [3-(4-methoxyphenoxy)cyclopentyl]urea?
[3-(4-methoxyphenoxy)cyclopentyl]urea has a molecular weight of 250.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenoxy)cyclopentyl]urea is sourced from PubChem (CID 123644066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).