1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea

C18H22N2O — CID 29026952

IUPAC1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-13(19-18(21)20-17-8-4-5-9-17)15-11-10-14-6-2-3-7-16(14)12-15/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H2,19,20,21)/t13-/m1/s1
InChIKeyOBQMCPADZFOMOJ-CYBMUJFWSA-N
MW282.39 g/mol
LogP4.14
Rot. Bonds3

About 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea

1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea (PubChem CID 29026952) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
PubChem CID29026952
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O/c1-13(19-18(21)20-17-8-4-5-9-17)15-11-10-14-6-2-3-7-16(14)12-15/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H2,19,20,21)/t13-/m1/s1
InChIKeyOBQMCPADZFOMOJ-CYBMUJFWSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-naphthalen-2-ylethyl]-3-[(4S)-oxepan-4-yl]urea
CID 124614578
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
N-(1-naphthalen-2-ylethyl)cyclohexanamine
CID 43080679
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
N-(1-naphthalen-2-ylethyl)cyclobutanamine
CID 62415710
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea (CID 29026952) is 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea is C[C@@H](NC(=O)NC1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea?
The InChIKey is OBQMCPADZFOMOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(19-18(21)20-17-8-4-5-9-17)15-11-10-14-6-2-3-7-16(14)12-15/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H2,19,20,21)/t13-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea?
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea has a molecular weight of 282.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea is sourced from PubChem (CID 29026952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).