(1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate

C25H39NO3 — CID 90268423

IUPAC(1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate
SMILESCCC1(OC(=O)N(CCc2ccccc2)OC2(CC)CCCCC2)CCCCC1
InChIInChI=1S/C25H39NO3/c1-3-24(17-10-6-11-18-24)28-23(27)26(21-16-22-14-8-5-9-15-22)29-25(4-2)19-12-7-13-20-25/h5,8-9,14-15H,3-4,6-7,10-13,16-21H2,1-2H3
InChIKeyBYUSBARWLBCWCR-UHFFFAOYSA-N
MW401.59 g/mol
LogP6.83
Rot. Bonds8

About (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate

(1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate (PubChem CID 90268423) has the molecular formula C25H39NO3 and a molecular weight of 401.59 g/mol. Its IUPAC name is (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate
PubChem CID90268423
Molecular FormulaC25H39NO3
Molecular Weight401.59 g/mol
Exact Mass401.29
IUPAC Name(1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate
SMILESCCC1(OC(=O)N(CCc2ccccc2)OC2(CC)CCCCC2)CCCCC1
InChIInChI=1S/C25H39NO3/c1-3-24(17-10-6-11-18-24)28-23(27)26(21-16-22-14-8-5-9-15-22)29-25(4-2)19-12-7-13-20-25/h5,8-9,14-15H,3-4,6-7,10-13,16-21H2,1-2H3
InChIKeyBYUSBARWLBCWCR-UHFFFAOYSA-N
XLogP6.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.59
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate?
The IUPAC name of (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate (CID 90268423) is (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate.
What is the SMILES notation for (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate?
The canonical SMILES for (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate is CCC1(OC(=O)N(CCc2ccccc2)OC2(CC)CCCCC2)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate?
The InChIKey is BYUSBARWLBCWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO3/c1-3-24(17-10-6-11-18-24)28-23(27)26(21-16-22-14-8-5-9-15-22)29-25(4-2)19-12-7-13-20-25/h5,8-9,14-15H,3-4,6-7,10-13,16-21H2,1-2H3.
What are the key properties of (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate?
(1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate has a molecular weight of 401.59 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) N-(1-ethylcyclohexyl)oxy-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 90268423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).