2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate

C27H34N2O4 — CID 20798540

IUPAC2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate
SMILESC=COCCNc1ccc(C2(c3ccc(NC(=O)OCCOC=C)cc3)CCCCC2)cc1
InChIInChI=1S/C27H34N2O4/c1-3-31-19-18-28-24-12-8-22(9-13-24)27(16-6-5-7-17-27)23-10-14-25(15-11-23)29-26(30)33-21-20-32-4-2/h3-4,8-15,28H,1-2,5-7,16-21H2,(H,29,30)
InChIKeyDIJOOBSSMFKGFG-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.22
Rot. Bonds12

About 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate

2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate (PubChem CID 20798540) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate.

Molecular Properties

Compound Name2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate
PubChem CID20798540
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate
SMILESC=COCCNc1ccc(C2(c3ccc(NC(=O)OCCOC=C)cc3)CCCCC2)cc1
InChIInChI=1S/C27H34N2O4/c1-3-31-19-18-28-24-12-8-22(9-13-24)27(16-6-5-7-17-27)23-10-14-25(15-11-23)29-26(30)33-21-20-32-4-2/h3-4,8-15,28H,1-2,5-7,16-21H2,(H,29,30)
InChIKeyDIJOOBSSMFKGFG-UHFFFAOYSA-N
XLogP6.22
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
CID 20718251
1-(2-ethenoxyethoxy)-4-[1-(4-ethenylphenyl)cyclohexyl]benzene
CID 21044973
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
1-(2-ethenoxyethoxy)-4-[1,3,3-tris[4-(2-ethenoxyethoxy)phenyl]cyclohexyl]benzene
CID 19900927
1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea
CID 2282649
4-ethenoxybutyl N-[4-(4-ethenoxybutoxycarbonylamino)-2-methylphenyl]carbamate
CID 59319780
ethenoxymethyl N-[4-[2-[4-(ethenoxymethylamino)phenyl]propan-2-yl]phenyl]carbamate
CID 20798549
2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide
CID 4831534
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
2-hydroxyethyl N-(4-piperidin-1-ylphenyl)carbamate
CID 79349659
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
2-amino-3-ethenoxy-N-[4-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide
CID 20828098

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate?
The IUPAC name of 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate (CID 20798540) is 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate.
What is the SMILES notation for 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate?
The canonical SMILES for 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate is C=COCCNc1ccc(C2(c3ccc(NC(=O)OCCOC=C)cc3)CCCCC2)cc1.
What is the InChIKey of 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate?
The InChIKey is DIJOOBSSMFKGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-3-31-19-18-28-24-12-8-22(9-13-24)27(16-6-5-7-17-27)23-10-14-25(15-11-23)29-26(30)33-21-20-32-4-2/h3-4,8-15,28H,1-2,5-7,16-21H2,(H,29,30).
What are the key properties of 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate?
2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate has a molecular weight of 450.58 g/mol, XLogP of 6.22, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethyl N-[4-[1-[4-(2-ethenoxyethylamino)phenyl]cyclohexyl]phenyl]carbamate is sourced from PubChem (CID 20798540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).