(5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate

C19H37NO2 — CID 91698369

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C19H37NO2/c1-6-8-9-16(7-2)13-20-19(21)22-18-12-15(5)10-11-17(18)14(3)4/h14-18H,6-13H2,1-5H3,(H,20,21)
InChIKeyFFVIWLBXDNYBLD-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.39
Rot. Bonds8

About (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate (PubChem CID 91698369) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate
PubChem CID91698369
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C19H37NO2/c1-6-8-9-16(7-2)13-20-19(21)22-18-12-15(5)10-11-17(18)14(3)4/h14-18H,6-13H2,1-5H3,(H,20,21)
InChIKeyFFVIWLBXDNYBLD-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate (CID 91698369) is (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate is CCCCC(CC)CNC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate?
The InChIKey is FFVIWLBXDNYBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-6-8-9-16(7-2)13-20-19(21)22-18-12-15(5)10-11-17(18)14(3)4/h14-18H,6-13H2,1-5H3,(H,20,21).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate has a molecular weight of 311.51 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-(2-ethylhexyl)carbamate is sourced from PubChem (CID 91698369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).