benzene;tert-butyl N-ethyl-N-propylcarbamate;methane

C17H31NO2 — CID 144505935

IUPACbenzene;tert-butyl N-ethyl-N-propylcarbamate;methane
SMILESC.CCCN(CC)C(=O)OC(C)(C)C.c1ccccc1
InChIInChI=1S/C10H21NO2.C6H6.CH4/c1-6-8-11(7-2)9(12)13-10(3,4)5;1-2-4-6-5-3-1;/h6-8H2,1-5H3;1-6H;1H4
InChIKeyJFFBPXOLGNSUOT-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.98
Rot. Bonds3

About benzene;tert-butyl N-ethyl-N-propylcarbamate;methane

benzene;tert-butyl N-ethyl-N-propylcarbamate;methane (PubChem CID 144505935) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is benzene;tert-butyl N-ethyl-N-propylcarbamate;methane.

Molecular Properties

Compound Namebenzene;tert-butyl N-ethyl-N-propylcarbamate;methane
PubChem CID144505935
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Namebenzene;tert-butyl N-ethyl-N-propylcarbamate;methane
SMILESC.CCCN(CC)C(=O)OC(C)(C)C.c1ccccc1
InChIInChI=1S/C10H21NO2.C6H6.CH4/c1-6-8-11(7-2)9(12)13-10(3,4)5;1-2-4-6-5-3-1;/h6-8H2,1-5H3;1-6H;1H4
InChIKeyJFFBPXOLGNSUOT-UHFFFAOYSA-N
XLogP4.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;tert-butyl N-ethyl-N-propylcarbamate;methane?
The IUPAC name of benzene;tert-butyl N-ethyl-N-propylcarbamate;methane (CID 144505935) is benzene;tert-butyl N-ethyl-N-propylcarbamate;methane.
What is the SMILES notation for benzene;tert-butyl N-ethyl-N-propylcarbamate;methane?
The canonical SMILES for benzene;tert-butyl N-ethyl-N-propylcarbamate;methane is C.CCCN(CC)C(=O)OC(C)(C)C.c1ccccc1.
What is the InChIKey of benzene;tert-butyl N-ethyl-N-propylcarbamate;methane?
The InChIKey is JFFBPXOLGNSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C6H6.CH4/c1-6-8-11(7-2)9(12)13-10(3,4)5;1-2-4-6-5-3-1;/h6-8H2,1-5H3;1-6H;1H4.
What are the key properties of benzene;tert-butyl N-ethyl-N-propylcarbamate;methane?
benzene;tert-butyl N-ethyl-N-propylcarbamate;methane has a molecular weight of 281.44 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tert-butyl N-ethyl-N-propylcarbamate;methane is sourced from PubChem (CID 144505935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).