1-cyclopentyl-3-(3-ethoxyphenyl)urea

C14H20N2O2 — CID 47264657

IUPAC1-cyclopentyl-3-(3-ethoxyphenyl)urea
SMILESCCOc1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-9-5-8-12(10-13)16-14(17)15-11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H2,15,16,17)
InChIKeyHSXVUZQRUBOVAY-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.15
Rot. Bonds4

About 1-cyclopentyl-3-(3-ethoxyphenyl)urea

1-cyclopentyl-3-(3-ethoxyphenyl)urea (PubChem CID 47264657) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-ethoxyphenyl)urea
PubChem CID47264657
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-cyclopentyl-3-(3-ethoxyphenyl)urea
SMILESCCOc1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-9-5-8-12(10-13)16-14(17)15-11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H2,15,16,17)
InChIKeyHSXVUZQRUBOVAY-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
CID 96536759
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
trans-(1R,2R)-2-[(3-ethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 41228503
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
2-(3-acetamidophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 7698272

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-ethoxyphenyl)urea?
The IUPAC name of 1-cyclopentyl-3-(3-ethoxyphenyl)urea (CID 47264657) is 1-cyclopentyl-3-(3-ethoxyphenyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-ethoxyphenyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(3-ethoxyphenyl)urea is CCOc1cccc(NC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-(3-ethoxyphenyl)urea?
The InChIKey is HSXVUZQRUBOVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-13-9-5-8-12(10-13)16-14(17)15-11-6-3-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-3-(3-ethoxyphenyl)urea?
1-cyclopentyl-3-(3-ethoxyphenyl)urea has a molecular weight of 248.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-ethoxyphenyl)urea is sourced from PubChem (CID 47264657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).