tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate

C25H50N4O4 — CID 10576339

IUPACtert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCN
InChIInChI=1S/C25H50N4O4/c1-25(2,3)33-24(32)29-21-15-9-11-17-23(31)28-20-14-7-5-4-6-13-19-27-22(30)16-10-8-12-18-26/h4-21,26H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeySDCBWWGDSMABBL-UHFFFAOYSA-N
MW470.70 g/mol
LogP4.16
Rot. Bonds20

About tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate

tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate (PubChem CID 10576339) has the molecular formula C25H50N4O4 and a molecular weight of 470.70 g/mol. Its IUPAC name is tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
PubChem CID10576339
Molecular FormulaC25H50N4O4
Molecular Weight470.70 g/mol
Exact Mass470.38
IUPAC Nametert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCN
InChIInChI=1S/C25H50N4O4/c1-25(2,3)33-24(32)29-21-15-9-11-17-23(31)28-20-14-7-5-4-6-13-19-27-22(30)16-10-8-12-18-26/h4-21,26H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeySDCBWWGDSMABBL-UHFFFAOYSA-N
XLogP4.16
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.70
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
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
tert-butyl N-[6-[[6-[[6-[[6-[[18-[(6-amino-6-oxohexyl)amino]-6,12,18-trioxooctadecyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]carbamate
CID 100969493
3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid
CID 171702836
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate?
The IUPAC name of tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate (CID 10576339) is tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate is CC(C)(C)OC(=O)NCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCN.
What is the InChIKey of tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate?
The InChIKey is SDCBWWGDSMABBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N4O4/c1-25(2,3)33-24(32)29-21-15-9-11-17-23(31)28-20-14-7-5-4-6-13-19-27-22(30)16-10-8-12-18-26/h4-21,26H2,1-3H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate?
tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate has a molecular weight of 470.70 g/mol, XLogP of 4.16, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate is sourced from PubChem (CID 10576339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).