tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate

C24H38N4O6 — CID 146453732

IUPACtert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)CCCCC#CC#CCCCCC(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C24H38N4O6/c1-23(2,3)33-21(31)27-25-19(29)17-15-13-11-9-7-8-10-12-14-16-18-20(30)26-28-22(32)34-24(4,5)6/h11-18H2,1-6H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyRIXIELCRXNVGQQ-UHFFFAOYSA-N
MW478.59 g/mol
LogP3.23
Rot. Bonds8

About tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate

tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate (PubChem CID 146453732) has the molecular formula C24H38N4O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate
PubChem CID146453732
Molecular FormulaC24H38N4O6
Molecular Weight478.59 g/mol
Exact Mass478.28
IUPAC Nametert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)CCCCC#CC#CCCCCC(=O)NNC(=O)OC(C)(C)C
InChIInChI=1S/C24H38N4O6/c1-23(2,3)33-21(31)27-25-19(29)17-15-13-11-9-7-8-10-12-14-16-18-20(30)26-28-22(32)34-24(4,5)6/h11-18H2,1-6H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyRIXIELCRXNVGQQ-UHFFFAOYSA-N
XLogP3.23
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate with MolForge

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Related Compounds

tert-butyl N-[6-(2-methylprop-2-enoylamino)hexanoylamino]carbamate
CID 87662767
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
tert-butyl N-[5-(hydroxymethylamino)-5-oxopentyl]carbamate
CID 91124608
N,N'-di(tetradecyl)docosa-10,12-diynediamide
CID 146309118
tert-butyl N-[3-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-(2,5-dioxopyrrol-1-yl)propanoyl-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropyl]amino]amino]propanoylamino]carbamate
CID 129177466
tert-butyl (2S)-2-(hept-6-ynoylamino)propanoate
CID 113349823
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
tert-butyl N-(6-methylhept-4-ynyl)carbamate
CID 155402013
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate (CID 146453732) is tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate is CC(C)(C)OC(=O)NNC(=O)CCCCC#CC#CCCCCC(=O)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate?
The InChIKey is RIXIELCRXNVGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O6/c1-23(2,3)33-21(31)27-25-19(29)17-15-13-11-9-7-8-10-12-14-16-18-20(30)26-28-22(32)34-24(4,5)6/h11-18H2,1-6H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate?
tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate has a molecular weight of 478.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate is sourced from PubChem (CID 146453732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).