1-(3-tert-butylphenyl)-3-cyclopentylurea

C16H24N2O — CID 58646048

IUPAC1-(3-tert-butylphenyl)-3-cyclopentylurea
SMILESCC(C)(C)c1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-16(2,3)12-7-6-10-14(11-12)18-15(19)17-13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H2,17,18,19)
InChIKeyOLPAQPDPFPCGLN-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.05
Rot. Bonds2

About 1-(3-tert-butylphenyl)-3-cyclopentylurea

1-(3-tert-butylphenyl)-3-cyclopentylurea (PubChem CID 58646048) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-3-cyclopentylurea
PubChem CID58646048
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3-tert-butylphenyl)-3-cyclopentylurea
SMILESCC(C)(C)c1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-16(2,3)12-7-6-10-14(11-12)18-15(19)17-13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H2,17,18,19)
InChIKeyOLPAQPDPFPCGLN-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-[3-(1,1-difluoroethyl)phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 99823447
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
3-tert-butyl-N-cyclopentylaniline
CID 176880114
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-3-cyclopentylurea?
The IUPAC name of 1-(3-tert-butylphenyl)-3-cyclopentylurea (CID 58646048) is 1-(3-tert-butylphenyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(3-tert-butylphenyl)-3-cyclopentylurea?
The canonical SMILES for 1-(3-tert-butylphenyl)-3-cyclopentylurea is CC(C)(C)c1cccc(NC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)-3-cyclopentylurea?
The InChIKey is OLPAQPDPFPCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)12-7-6-10-14(11-12)18-15(19)17-13-8-4-5-9-13/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3-tert-butylphenyl)-3-cyclopentylurea?
1-(3-tert-butylphenyl)-3-cyclopentylurea has a molecular weight of 260.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)-3-cyclopentylurea is sourced from PubChem (CID 58646048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).