(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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Related Compounds

(1-ethylcyclopentyl) pentanoate
CID 123172403
bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872
2,3-dihydro-1H-inden-2-yloxycarbonyl(hexyl)carbamic acid
CID 21259489
(1-ethylcyclohexyl) cyclopropanecarboxylate
CID 147138971
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
4-(1-hexylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262482
nonoxycarbonyl(pentyl)carbamic acid
CID 54125876
[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate
CID 162105988
cyclobutyl pentadecanoate
CID 46229794
cyclobutyl N,N-diethylcarbamate
CID 89379531
(1-ethylcyclopentyl) methyl carbonate
CID 59539839
1-O-(1-cyclopentylcyclohexyl) 4-O-(1-ethylcyclohexyl) 2,2,3,3-tetrafluorobutanedioate
CID 58372407

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).