1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea

C14H20N2O2 — CID 110642330

IUPAC1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
SMILESO=C(NCC1(CO)CCCC1)Nc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-11-14(8-4-5-9-14)10-15-13(18)16-12-6-2-1-3-7-12/h1-3,6-7,17H,4-5,8-11H2,(H2,15,16,18)
InChIKeyOZBYBRLJSAJZDL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.36
Rot. Bonds4

About 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea

1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea (PubChem CID 110642330) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
PubChem CID110642330
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
SMILESO=C(NCC1(CO)CCCC1)Nc1ccccc1
InChIInChI=1S/C14H20N2O2/c17-11-14(8-4-5-9-14)10-15-13(18)16-12-6-2-1-3-7-12/h1-3,6-7,17H,4-5,8-11H2,(H2,15,16,18)
InChIKeyOZBYBRLJSAJZDL-UHFFFAOYSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[[1-(hydroxymethyl)cyclohexyl]methyl]urea
CID 115683138
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
1-(3,5-dichlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 103719568
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylprop-2-ynamide
CID 115362542
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111572950
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea (CID 110642330) is 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea is O=C(NCC1(CO)CCCC1)Nc1ccccc1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea?
The InChIKey is OZBYBRLJSAJZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-11-14(8-4-5-9-14)10-15-13(18)16-12-6-2-1-3-7-12/h1-3,6-7,17H,4-5,8-11H2,(H2,15,16,18).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea?
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea has a molecular weight of 248.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea is sourced from PubChem (CID 110642330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).