1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea

C16H24N2O3 — CID 6470715

IUPAC1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-13-9-10-15(21-2)14(11-13)18-16(19)17-12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyUTPIRLGJMRPQPJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.55
Rot. Bonds4

About 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea

1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea (PubChem CID 6470715) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
PubChem CID6470715
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-20-13-9-10-15(21-2)14(11-13)18-16(19)17-12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H2,17,18,19)
InChIKeyUTPIRLGJMRPQPJ-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
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CID 4120812
1-(2,5-dimethoxyphenyl)-3-(1,1-dioxothian-3-yl)urea
CID 56795391
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497
3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056122
1-cyclohexyl-3-(2-methoxy-5-propylphenyl)urea
CID 146221893
1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
CID 108912082
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea
CID 95975281
4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079533

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea (CID 6470715) is 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)NC2CCCCCC2)c1.
What is the InChIKey of 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is UTPIRLGJMRPQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-13-9-10-15(21-2)14(11-13)18-16(19)17-12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea?
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 292.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 6470715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).