3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea

C21H32N2O3 — CID 4276870

IUPAC3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(C(=O)NC2CCCCC2)C2CCCC2)c(OC)c1
InChIInChI=1S/C21H32N2O3/c1-25-19-13-12-16(20(14-19)26-2)15-23(18-10-6-7-11-18)21(24)22-17-8-4-3-5-9-17/h12-14,17-18H,3-11,15H2,1-2H3,(H,22,24)
InChIKeyOYELBRIOCFVXLQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.49
Rot. Bonds6

About 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea

3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea (PubChem CID 4276870) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
PubChem CID4276870
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(C(=O)NC2CCCCC2)C2CCCC2)c(OC)c1
InChIInChI=1S/C21H32N2O3/c1-25-19-13-12-16(20(14-19)26-2)15-23(18-10-6-7-11-18)21(24)22-17-8-4-3-5-9-17/h12-14,17-18H,3-11,15H2,1-2H3,(H,22,24)
InChIKeyOYELBRIOCFVXLQ-UHFFFAOYSA-N
XLogP4.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 74231555
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclohexyl-2-[[N-[(2,4-dimethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111297082
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-pentylthiourea
CID 5180319
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-octylthiourea
CID 3256381
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 112790503
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea (CID 4276870) is 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea is COc1ccc(CN(C(=O)NC2CCCCC2)C2CCCC2)c(OC)c1.
What is the InChIKey of 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea?
The InChIKey is OYELBRIOCFVXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-19-13-12-16(20(14-19)26-2)15-23(18-10-6-7-11-18)21(24)22-17-8-4-3-5-9-17/h12-14,17-18H,3-11,15H2,1-2H3,(H,22,24).
What are the key properties of 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea?
3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea has a molecular weight of 360.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 4276870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).