[(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate

C16H28N2O3 — CID 118460764

IUPAC[(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\CCCCC1CC(=O)NC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-16(2,3)18-14(19)11-12-9-7-5-6-8-10-13(12)21-15(20)17-4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,17,20)(H,18,19)/b10-8-
InChIKeyPJYKTMHVPRRZBO-NTMALXAHSA-N
MW296.41 g/mol
LogP2.76
Rot. Bonds3

About [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate

[(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate (PubChem CID 118460764) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate
PubChem CID118460764
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate
SMILESCNC(=O)OC1/C=C\CCCCC1CC(=O)NC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-16(2,3)18-14(19)11-12-9-7-5-6-8-10-13(12)21-15(20)17-4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,17,20)(H,18,19)/b10-8-
InChIKeyPJYKTMHVPRRZBO-NTMALXAHSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E)-8-[2-(methylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-ethylcarbamate
CID 90184401
tert-butyl [(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;[(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-8-(3,3-dimethyl-2-oxobutyl)cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4-hydroxycyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate
CID 158866304
[(3E)-cyclooct-3-en-1-yl] N-methylcarbamate
CID 153422557
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
CID 167046429
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
cyclopentyl N-methylcarbamate
CID 23548767
N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide
CID 107907876
[(2E)-8-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] ethylsulfanylformate
CID 122495990
tert-butyl N-[(1R,2E,8R)-8-aminocyclooct-2-en-1-yl]carbamate
CID 118459009
tert-butyl N-[(1R,8R)-8-formylcyclooct-2-en-1-yl]carbamate
CID 98106498
[(2E)-8-methylcyclooct-2-en-1-yl] acetate
CID 159103280
tetrakis([(4E)-cyclooct-4-en-1-yl] N-methylcarbamate);methanamine
CID 160957196

Frequently Asked Questions

What is the IUPAC name of [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate?
The IUPAC name of [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate (CID 118460764) is [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate.
What is the SMILES notation for [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate?
The canonical SMILES for [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate is CNC(=O)OC1/C=C\CCCCC1CC(=O)NC(C)(C)C.
What is the InChIKey of [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate?
The InChIKey is PJYKTMHVPRRZBO-NTMALXAHSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)18-14(19)11-12-9-7-5-6-8-10-13(12)21-15(20)17-4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,17,20)(H,18,19)/b10-8-.
What are the key properties of [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate?
[(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate has a molecular weight of 296.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-8-[2-(tert-butylamino)-2-oxoethyl]cyclooct-2-en-1-yl] N-methylcarbamate is sourced from PubChem (CID 118460764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).