tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate

C18H38N2O3 — CID 107442115

IUPACtert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate
SMILESCC(C)CCOCCNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C18H38N2O3/c1-14(2)8-10-22-11-9-19-12-16(15(3)4)13-20-17(21)23-18(5,6)7/h14-16,19H,8-13H2,1-7H3,(H,20,21)
InChIKeyJCMOXFSXLQZSGH-UHFFFAOYSA-N
MW330.51 g/mol
LogP3.44
Rot. Bonds11

About tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate

tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate (PubChem CID 107442115) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate
PubChem CID107442115
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC Nametert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate
SMILESCC(C)CCOCCNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C18H38N2O3/c1-14(2)8-10-22-11-9-19-12-16(15(3)4)13-20-17(21)23-18(5,6)7/h14-16,19H,8-13H2,1-7H3,(H,20,21)
InChIKeyJCMOXFSXLQZSGH-UHFFFAOYSA-N
XLogP3.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
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 tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate (CID 107442115) is tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate is CC(C)CCOCCNCC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate?
The InChIKey is JCMOXFSXLQZSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O3/c1-14(2)8-10-22-11-9-19-12-16(15(3)4)13-20-17(21)23-18(5,6)7/h14-16,19H,8-13H2,1-7H3,(H,20,21).
What are the key properties of tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate?
tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate has a molecular weight of 330.51 g/mol, XLogP of 3.44, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[[2-(3-methylbutoxy)ethylamino]methyl]butyl]carbamate is sourced from PubChem (CID 107442115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).