1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea

C19H28N2O2 — CID 112973432

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea
SMILESCc1ccc(C)c(OCCNC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-15-8-9-16(2)18(14-15)23-13-12-21-19(22)20-11-10-17-6-4-3-5-7-17/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H2,20,21,22)
InChIKeyUQKVBCMOOJHOOC-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.87
Rot. Bonds7

About 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea (PubChem CID 112973432) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea
PubChem CID112973432
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea
SMILESCc1ccc(C)c(OCCNC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-15-8-9-16(2)18(14-15)23-13-12-21-19(22)20-11-10-17-6-4-3-5-7-17/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H2,20,21,22)
InChIKeyUQKVBCMOOJHOOC-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973607
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60547483
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-difluorophenoxy)ethyl]urea
CID 112976126
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972191
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
CID 86998860
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 177377392
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(3-methylbutyl)urea
CID 112973500
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519612

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea (CID 112973432) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea is Cc1ccc(C)c(OCCNC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea?
The InChIKey is UQKVBCMOOJHOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-8-9-16(2)18(14-15)23-13-12-21-19(22)20-11-10-17-6-4-3-5-7-17/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea has a molecular weight of 316.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112973432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).