(1-benzylcyclopentyl)urea

C13H18N2O — CID 86790395

IUPAC(1-benzylcyclopentyl)urea
SMILESNC(=O)NC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C13H18N2O/c14-12(16)15-13(8-4-5-9-13)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H3,14,15,16)
InChIKeyFQMGLXFRFQVTII-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.21
Rot. Bonds3

About (1-benzylcyclopentyl)urea

(1-benzylcyclopentyl)urea (PubChem CID 86790395) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (1-benzylcyclopentyl)urea.

Molecular Properties

Compound Name(1-benzylcyclopentyl)urea
PubChem CID86790395
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(1-benzylcyclopentyl)urea
SMILESNC(=O)NC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C13H18N2O/c14-12(16)15-13(8-4-5-9-13)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H3,14,15,16)
InChIKeyFQMGLXFRFQVTII-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
N-(1-benzylcyclopropyl)prop-2-enamide
CID 146108145
N-(1-benzylcyclohexyl)pyrazine-2-carboxamide
CID 110661541
N-(1-benzylcyclopentyl)methanesulfonamide
CID 24840126
1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 75521844
1-benzyl-N-methylcyclobutan-1-amine
CID 89012773
(1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide
CID 68882774
(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120795417
N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 75504688
N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
CID 142327017
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-(benzylamino)cyclobutyl]acetamide
CID 131134694

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclopentyl)urea?
The IUPAC name of (1-benzylcyclopentyl)urea (CID 86790395) is (1-benzylcyclopentyl)urea.
What is the SMILES notation for (1-benzylcyclopentyl)urea?
The canonical SMILES for (1-benzylcyclopentyl)urea is NC(=O)NC1(Cc2ccccc2)CCCC1.
What is the InChIKey of (1-benzylcyclopentyl)urea?
The InChIKey is FQMGLXFRFQVTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12(16)15-13(8-4-5-9-13)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H3,14,15,16).
What are the key properties of (1-benzylcyclopentyl)urea?
(1-benzylcyclopentyl)urea has a molecular weight of 218.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclopentyl)urea is sourced from PubChem (CID 86790395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).