tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate

C16H28N2O3 — CID 143824432

IUPACtert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)=CCCC/C=C\NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-13(2)10-8-6-7-9-11-17-14(19)12-18-15(20)21-16(3,4)5/h9-11H,6-8,12H2,1-5H3,(H,17,19)(H,18,20)/b11-9-
InChIKeyFOWKBGSNJFZNAF-LUAWRHEFSA-N
MW296.41 g/mol
LogP3.28
Rot. Bonds7

About tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate (PubChem CID 143824432) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate
PubChem CID143824432
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate
SMILESCC(C)=CCCC/C=C\NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O3/c1-13(2)10-8-6-7-9-11-17-14(19)12-18-15(20)21-16(3,4)5/h9-11H,6-8,12H2,1-5H3,(H,17,19)(H,18,20)/b11-9-
InChIKeyFOWKBGSNJFZNAF-LUAWRHEFSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-[(4E,6Z)-7-methoxyhepta-4,6-dienyl]carbamate
CID 11160831
tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate
CID 132585355
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoate
CID 154932329
tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate
CID 135045437
tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
(2E,6E)-1-methoxy-3,7,11-trimethyldodeca-2,6,10-triene;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 143996677

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate (CID 143824432) is tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate is CC(C)=CCCC/C=C\NC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate?
The InChIKey is FOWKBGSNJFZNAF-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(2)10-8-6-7-9-11-17-14(19)12-18-15(20)21-16(3,4)5/h9-11H,6-8,12H2,1-5H3,(H,17,19)(H,18,20)/b11-9-.
What are the key properties of tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(1Z)-7-methylocta-1,6-dienyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 143824432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).