1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea

C17H26N2O2 — CID 112969798

IUPAC1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCNC(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-14-8-6-7-11-16(14)21-13-12-18-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H2,18,19,20)
InChIKeyCZVWBZHYZGEPPO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.40
Rot. Bonds5

About 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea

1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 112969798) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID112969798
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCc1ccccc1OCCNC(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-14-8-6-7-11-16(14)21-13-12-18-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H2,18,19,20)
InChIKeyCZVWBZHYZGEPPO-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]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

1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
1-[2-(5-chloro-2-methylphenoxy)ethyl]-3-cyclohexylurea
CID 70796637
1-cyclohexyl-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575360
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 46789069

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea (CID 112969798) is 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea is Cc1ccccc1OCCNC(=O)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is CZVWBZHYZGEPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-8-6-7-11-16(14)21-13-12-18-17(20)19-15-9-4-2-3-5-10-15/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea?
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 290.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).