1-cyclopentyl-3-(4-propoxyphenyl)urea

C15H22N2O2 — CID 110774502

IUPAC1-cyclopentyl-3-(4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-11-19-14-9-7-13(8-10-14)17-15(18)16-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyOTQUGIPCEKIILV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.54
Rot. Bonds5

About 1-cyclopentyl-3-(4-propoxyphenyl)urea

1-cyclopentyl-3-(4-propoxyphenyl)urea (PubChem CID 110774502) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-propoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-propoxyphenyl)urea
PubChem CID110774502
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-cyclopentyl-3-(4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-11-19-14-9-7-13(8-10-14)17-15(18)16-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyOTQUGIPCEKIILV-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 110774513
N-cyclohexyl-4-propoxybenzamide
CID 4938429
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide
CID 124624773
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
CID 62496113
N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4943225

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-propoxyphenyl)urea?
The IUPAC name of 1-cyclopentyl-3-(4-propoxyphenyl)urea (CID 110774502) is 1-cyclopentyl-3-(4-propoxyphenyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4-propoxyphenyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4-propoxyphenyl)urea is CCCOc1ccc(NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-(4-propoxyphenyl)urea?
The InChIKey is OTQUGIPCEKIILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-11-19-14-9-7-13(8-10-14)17-15(18)16-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-(4-propoxyphenyl)urea?
1-cyclopentyl-3-(4-propoxyphenyl)urea has a molecular weight of 262.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-propoxyphenyl)urea is sourced from PubChem (CID 110774502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).