1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea

C17H26N2O2 — CID 47034829

IUPAC1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
SMILESCOCc1ccccc1NC(=O)N(C)C1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-19(15-10-5-3-4-6-11-15)17(20)18-16-12-8-7-9-14(16)13-21-2/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeyATRURKFYXCUVLA-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.02
Rot. Bonds4

About 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea

1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea (PubChem CID 47034829) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
PubChem CID47034829
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea
SMILESCOCc1ccccc1NC(=O)N(C)C1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-19(15-10-5-3-4-6-11-15)17(20)18-16-12-8-7-9-14(16)13-21-2/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeyATRURKFYXCUVLA-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
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CID 51307622
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1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
3-[2-(ethoxymethyl)phenyl]-1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
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CID 69478072

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea?
The IUPAC name of 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea (CID 47034829) is 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea?
The canonical SMILES for 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea is COCc1ccccc1NC(=O)N(C)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea?
The InChIKey is ATRURKFYXCUVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(15-10-5-3-4-6-11-15)17(20)18-16-12-8-7-9-14(16)13-21-2/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea?
1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea has a molecular weight of 290.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[2-(methoxymethyl)phenyl]-1-methylurea is sourced from PubChem (CID 47034829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).