tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate

C20H38N2O2 — CID 123592687

IUPACtert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate
SMILESCC=CC(=CC)CN(C)CC(C)C(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H38N2O2/c1-10-12-18(11-2)15-21(8)13-16(3)17(4)14-22(9)19(23)24-20(5,6)7/h10-12,16-17H,13-15H2,1-9H3
InChIKeyPYAVSAOBFDMWPX-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.58
Rot. Bonds8

About tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate

tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate (PubChem CID 123592687) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate
PubChem CID123592687
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Nametert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate
SMILESCC=CC(=CC)CN(C)CC(C)C(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H38N2O2/c1-10-12-18(11-2)15-21(8)13-16(3)17(4)14-22(9)19(23)24-20(5,6)7/h10-12,16-17H,13-15H2,1-9H3
InChIKeyPYAVSAOBFDMWPX-UHFFFAOYSA-N
XLogP4.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate (CID 123592687) is tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate is CC=CC(=CC)CN(C)CC(C)C(C)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate?
The InChIKey is PYAVSAOBFDMWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-10-12-18(11-2)15-21(8)13-16(3)17(4)14-22(9)19(23)24-20(5,6)7/h10-12,16-17H,13-15H2,1-9H3.
What are the key properties of tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate?
tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate has a molecular weight of 338.54 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-ethylidenepent-3-enyl(methyl)amino]-2,3-dimethylbutyl]-N-methylcarbamate is sourced from PubChem (CID 123592687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).