[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate

C16H32N2O4 — CID 21128470

IUPAC[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate
SMILESCCCNC(=O)OCC(C)(CCC)COC(=O)N(CC)CC
InChIInChI=1S/C16H32N2O4/c1-6-10-16(5,12-21-14(19)17-11-7-2)13-22-15(20)18(8-3)9-4/h6-13H2,1-5H3,(H,17,19)
InChIKeyIYTYSTOFWZFMEO-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.41
Rot. Bonds10

About [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate

[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate (PubChem CID 21128470) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate
PubChem CID21128470
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate
SMILESCCCNC(=O)OCC(C)(CCC)COC(=O)N(CC)CC
InChIInChI=1S/C16H32N2O4/c1-6-10-16(5,12-21-14(19)17-11-7-2)13-22-15(20)18(8-3)9-4/h6-13H2,1-5H3,(H,17,19)
InChIKeyIYTYSTOFWZFMEO-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-3-(propylcarbamoyloxy)-2-(propylcarbamoyloxymethyl)propyl] N-propylcarbamate
CID 126540668
[2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl] N-butylcarbamate
CID 21128467
(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
CID 54453185
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
3,3-dimethylbutyl N-propylcarbamate
CID 153156945
[2-(hydroxymethyl)-2-methylpentyl] N-prop-2-enylcarbamate
CID 91621260
ethyl N-propylcarbamate
CID 12199
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582
(2-methyl-2-propylpentyl) acetate
CID 89417633
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate
CID 134348106
(2-amino-2-methylbutyl) N-ethylcarbamate
CID 79337657
(1,1,1-trichloro-2-methylpropan-2-yl) N-propylcarbamate
CID 159172104

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate?
The IUPAC name of [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate (CID 21128470) is [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate.
What is the SMILES notation for [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate?
The canonical SMILES for [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate is CCCNC(=O)OCC(C)(CCC)COC(=O)N(CC)CC.
What is the InChIKey of [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate?
The InChIKey is IYTYSTOFWZFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-6-10-16(5,12-21-14(19)17-11-7-2)13-22-15(20)18(8-3)9-4/h6-13H2,1-5H3,(H,17,19).
What are the key properties of [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate?
[2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate has a molecular weight of 316.44 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(propylcarbamoyloxymethyl)pentyl] N,N-diethylcarbamate is sourced from PubChem (CID 21128470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).