[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate

C12H24N2O4 — CID 170775177

IUPAC[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate
SMILESCC(C)(C)COCNC(=O)CCCCOC(N)=O
InChIInChI=1S/C12H24N2O4/c1-12(2,3)8-17-9-14-10(15)6-4-5-7-18-11(13)16/h4-9H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyFGYVZIYSSCBHDG-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.39
Rot. Bonds8

About [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate

[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate (PubChem CID 170775177) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate.

Molecular Properties

Compound Name[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate
PubChem CID170775177
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate
SMILESCC(C)(C)COCNC(=O)CCCCOC(N)=O
InChIInChI=1S/C12H24N2O4/c1-12(2,3)8-17-9-14-10(15)6-4-5-7-18-11(13)16/h4-9H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyFGYVZIYSSCBHDG-UHFFFAOYSA-N
XLogP1.39
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate?
The IUPAC name of [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate (CID 170775177) is [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate.
What is the SMILES notation for [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate?
The canonical SMILES for [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate is CC(C)(C)COCNC(=O)CCCCOC(N)=O.
What is the InChIKey of [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate?
The InChIKey is FGYVZIYSSCBHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(2,3)8-17-9-14-10(15)6-4-5-7-18-11(13)16/h4-9H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate?
[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate has a molecular weight of 260.33 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate is sourced from PubChem (CID 170775177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).