2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate

C19H36N2O5 — CID 130346361

IUPAC2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
SMILESCCC(C)OC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCCOC)C1
InChIInChI=1S/C19H36N2O5/c1-7-14(2)26-17(23)21-15-10-18(3,4)12-19(5,11-15)13-20-16(22)25-9-8-24-6/h14-15H,7-13H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyUOXFVCQJNIZQEC-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.47
Rot. Bonds8

About 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate

2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate (PubChem CID 130346361) has the molecular formula C19H36N2O5 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
PubChem CID130346361
Molecular FormulaC19H36N2O5
Molecular Weight372.51 g/mol
Exact Mass372.26
IUPAC Name2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
SMILESCCC(C)OC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCCOC)C1
InChIInChI=1S/C19H36N2O5/c1-7-14(2)26-17(23)21-15-10-18(3,4)12-19(5,11-15)13-20-16(22)25-9-8-24-6/h14-15H,7-13H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyUOXFVCQJNIZQEC-UHFFFAOYSA-N
XLogP3.47
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate (CID 130346361) is 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate is CCC(C)OC(=O)NC1CC(C)(C)CC(C)(CNC(=O)OCCOC)C1.
What is the InChIKey of 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate?
The InChIKey is UOXFVCQJNIZQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O5/c1-7-14(2)26-17(23)21-15-10-18(3,4)12-19(5,11-15)13-20-16(22)25-9-8-24-6/h14-15H,7-13H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate?
2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate has a molecular weight of 372.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate is sourced from PubChem (CID 130346361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).