1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea

C17H26N2O3 — CID 47033897

IUPAC1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1ccc(NC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-21-12-13-22-16-10-8-15(9-11-16)19-17(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H2,18,19,20)
InChIKeyMUENJJDWYIHFDV-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.56
Rot. Bonds6

About 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea

1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea (PubChem CID 47033897) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
PubChem CID47033897
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1ccc(NC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-21-12-13-22-16-10-8-15(9-11-16)19-17(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H2,18,19,20)
InChIKeyMUENJJDWYIHFDV-UHFFFAOYSA-N
XLogP3.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
2-(cyclohexylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54816663
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 110774513
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
CID 55697423

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea?
The IUPAC name of 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea (CID 47033897) is 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea is COCCOc1ccc(NC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea?
The InChIKey is MUENJJDWYIHFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-12-13-22-16-10-8-15(9-11-16)19-17(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea?
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea has a molecular weight of 306.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea is sourced from PubChem (CID 47033897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).