[5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate

C14H28N2O4 — CID 154076634

IUPAC[5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate
SMILESCCC(CCOC(N)=O)CC(CC)(CC)COC(N)=O
InChIInChI=1S/C14H28N2O4/c1-4-11(7-8-19-12(15)17)9-14(5-2,6-3)10-20-13(16)18/h11H,4-10H2,1-3H3,(H2,15,17)(H2,16,18)
InChIKeyVOPAZJLOVHKVOV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds10

About [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate

[5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate (PubChem CID 154076634) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate.

Molecular Properties

Compound Name[5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate
PubChem CID154076634
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate
SMILESCCC(CCOC(N)=O)CC(CC)(CC)COC(N)=O
InChIInChI=1S/C14H28N2O4/c1-4-11(7-8-19-12(15)17)9-14(5-2,6-3)10-20-13(16)18/h11H,4-10H2,1-3H3,(H2,15,17)(H2,16,18)
InChIKeyVOPAZJLOVHKVOV-UHFFFAOYSA-N
XLogP2.79
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2,2-bis(carbamoyloxymethyl)-3-hydroxypropyl] carbamate
CID 23571865
2-[2-ethyl-2-(3-ethylpentoxymethyl)butoxy]acetic acid
CID 121429682
3,5,5-triethylheptanoic acid
CID 545359
(5-ethyl-3-methylheptan-3-yl)urea
CID 155063510
[2-(carbamoyloxymethyl)-2-(methylcarbamoyloxymethyl)butyl] N-methylcarbamate;ethane
CID 171636121
3-O-[3-[3-(2-ethylbutoxy)-3-oxopropanoyl]oxy-2,2-dimethylpropyl] 1-O-(2-ethylbutyl) propanedioate;1-O-(2-ethylbutyl) 3-O-[2-ethyl-2-[[3-(2-ethylbutoxy)-3-oxopropanoyl]oxymethyl]butyl] propanedioate
CID 160798732
[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate
CID 121223659
2-(aminomethyl)-2,4-diethyloctan-1-ol
CID 106508240
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
2,2,4-triethyloctan-1-amine
CID 63522335
propyl carbamate;dihydrochloride
CID 87576214
3-(diethylamino)hexyl carbamate
CID 88732778

Frequently Asked Questions

What is the IUPAC name of [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate?
The IUPAC name of [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate (CID 154076634) is [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate.
What is the SMILES notation for [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate?
The canonical SMILES for [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate is CCC(CCOC(N)=O)CC(CC)(CC)COC(N)=O.
What is the InChIKey of [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate?
The InChIKey is VOPAZJLOVHKVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-4-11(7-8-19-12(15)17)9-14(5-2,6-3)10-20-13(16)18/h11H,4-10H2,1-3H3,(H2,15,17)(H2,16,18).
What are the key properties of [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate?
[5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate has a molecular weight of 288.39 g/mol, XLogP of 2.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(carbamoyloxymethyl)-3,5-diethylheptyl] carbamate is sourced from PubChem (CID 154076634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).