1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea

C26H36N2O — CID 10091938

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea
SMILESCc1ccccc1C1(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)CCCC1
InChIInChI=1S/C26H36N2O/c1-18(2)21-12-10-13-22(19(3)4)24(21)28-25(29)27-17-26(15-8-9-16-26)23-14-7-6-11-20(23)5/h6-7,10-14,18-19H,8-9,15-17H2,1-5H3,(H2,27,28,29)
InChIKeyWFXHONYRWPMNEO-UHFFFAOYSA-N
MW392.59 g/mol
LogP6.88
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea (PubChem CID 10091938) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea
PubChem CID10091938
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea
SMILESCc1ccccc1C1(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)CCCC1
InChIInChI=1S/C26H36N2O/c1-18(2)21-12-10-13-22(19(3)4)24(21)28-25(29)27-17-26(15-8-9-16-26)23-14-7-6-11-20(23)5/h6-7,10-14,18-19H,8-9,15-17H2,1-5H3,(H2,27,28,29)
InChIKeyWFXHONYRWPMNEO-UHFFFAOYSA-N
XLogP6.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride
CID 131678
Nevanimibe
CID 131679
1-Cyclohexyl-3-(2-ethyl-6-methylphenyl)-1-methylurea
CID 2814166
1-(2-Methylphenyl)-3-(4-phenylbutyl)urea
CID 24819105
1-(2,6-Diisopropylphenyl)-3-phenylurea
CID 720732
1-Cyclohexyl-3-(2,6-xylyl)urea
CID 794703
N-butyl-N'-(2,6-diisopropylphenyl)urea
CID 4205306
1,1-Dibenzyl-3-(2,6-xylyl)urea
CID 307734
1,1-Dibenzyl-3-(2,6-diethylphenyl)urea
CID 3362690
1,1-Dibutyl-3-(2,6-xylyl)urea
CID 3435176
1,1-Dibenzyl-3-(2-ethyl-6-methylphenyl)urea
CID 3835143
1-Benzyl-3-(2,4-xylyl)urea
CID 4612352

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea (CID 10091938) is 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea is Cc1ccccc1C1(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)CCCC1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea?
The InChIKey is WFXHONYRWPMNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-18(2)21-12-10-13-22(19(3)4)24(21)28-25(29)27-17-26(15-8-9-16-26)23-14-7-6-11-20(23)5/h6-7,10-14,18-19H,8-9,15-17H2,1-5H3,(H2,27,28,29).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea has a molecular weight of 392.59 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(2-methylphenyl)cyclopentyl]methyl]urea is sourced from PubChem (CID 10091938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).