1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea

C21H32N2O3 — CID 60600945

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea
SMILESCC(C)OCCOCc1cccc(NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-17(2)26-14-13-25-16-19-9-6-10-20(15-19)23-21(24)22-12-11-18-7-4-3-5-8-18/h6-7,9-10,15,17H,3-5,8,11-14,16H2,1-2H3,(H2,22,23,24)
InChIKeyCUPKYWPRPHNOAL-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.64
Rot. Bonds10

About 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea

1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea (PubChem CID 60600945) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea
PubChem CID60600945
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea
SMILESCC(C)OCCOCc1cccc(NC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-17(2)26-14-13-25-16-19-9-6-10-20(15-19)23-21(24)22-12-11-18-7-4-3-5-8-18/h6-7,9-10,15,17H,3-5,8,11-14,16H2,1-2H3,(H2,22,23,24)
InChIKeyCUPKYWPRPHNOAL-UHFFFAOYSA-N
XLogP4.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]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-[2-(cyclohexen-1-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
CID 60577328
3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
CID 119754191
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 119754179
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-fluoro-4-propan-2-yloxyphenyl)urea
CID 60608725
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198
1-[2-(cyclohexen-1-yl)ethyl]-3-quinoxalin-6-ylurea
CID 4000468
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
(2S,5R)-5-(aminomethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]oxolane-2-carboxamide
CID 120790226
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]morpholine-3-carboxamide
CID 119754157

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea (CID 60600945) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea is CC(C)OCCOCc1cccc(NC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea?
The InChIKey is CUPKYWPRPHNOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-17(2)26-14-13-25-16-19-9-6-10-20(15-19)23-21(24)22-12-11-18-7-4-3-5-8-18/h6-7,9-10,15,17H,3-5,8,11-14,16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea has a molecular weight of 360.50 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2-propan-2-yloxyethoxymethyl)phenyl]urea is sourced from PubChem (CID 60600945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).