(1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate

C23H41NO4 — CID 90306953

IUPAC(1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate
SMILESCCCCCCCCCN(C(=O)OC1CCCC1)C(=O)OC1(CC)CCCC1
InChIInChI=1S/C23H41NO4/c1-3-5-6-7-8-9-14-19-24(21(25)27-20-15-10-11-16-20)22(26)28-23(4-2)17-12-13-18-23/h20H,3-19H2,1-2H3
InChIKeyPQXORBIFKJHXPR-UHFFFAOYSA-N
MW395.58 g/mol
LogP6.98
Rot. Bonds11

About (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate

(1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate (PubChem CID 90306953) has the molecular formula C23H41NO4 and a molecular weight of 395.58 g/mol. Its IUPAC name is (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate
PubChem CID90306953
Molecular FormulaC23H41NO4
Molecular Weight395.58 g/mol
Exact Mass395.30
IUPAC Name(1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate
SMILESCCCCCCCCCN(C(=O)OC1CCCC1)C(=O)OC1(CC)CCCC1
InChIInChI=1S/C23H41NO4/c1-3-5-6-7-8-9-14-19-24(21(25)27-20-15-10-11-16-20)22(26)28-23(4-2)17-12-13-18-23/h20H,3-19H2,1-2H3
InChIKeyPQXORBIFKJHXPR-UHFFFAOYSA-N
XLogP6.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.58
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate?
The IUPAC name of (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate (CID 90306953) is (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate.
What is the SMILES notation for (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate?
The canonical SMILES for (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate is CCCCCCCCCN(C(=O)OC1CCCC1)C(=O)OC1(CC)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate?
The InChIKey is PQXORBIFKJHXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO4/c1-3-5-6-7-8-9-14-19-24(21(25)27-20-15-10-11-16-20)22(26)28-23(4-2)17-12-13-18-23/h20H,3-19H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate?
(1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate has a molecular weight of 395.58 g/mol, XLogP of 6.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) N-cyclopentyloxycarbonyl-N-nonylcarbamate is sourced from PubChem (CID 90306953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).