tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate

C26H48N8O8 — CID 171850506

IUPACtert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate
SMILESCN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C26H48N8O8/c1-26(2,3)42-25(41)28-12-11-27-19(35)13-30(6)21(37)15-32(8)23(39)17-34(10)24(40)18-33(9)22(38)16-31(7)20(36)14-29(4)5/h11-18H2,1-10H3,(H,27,35)(H,28,41)
InChIKeyFWTLBRNWNRJVRY-UHFFFAOYSA-N
MW600.72 g/mol
LogP-2.52
Rot. Bonds15

About tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate (PubChem CID 171850506) has the molecular formula C26H48N8O8 and a molecular weight of 600.72 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate
PubChem CID171850506
Molecular FormulaC26H48N8O8
Molecular Weight600.72 g/mol
Exact Mass600.36
IUPAC Nametert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate
SMILESCN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C26H48N8O8/c1-26(2,3)42-25(41)28-12-11-27-19(35)13-30(6)21(37)15-32(8)23(39)17-34(10)24(40)18-33(9)22(38)16-31(7)20(36)14-29(4)5/h11-18H2,1-10H3,(H,27,35)(H,28,41)
InChIKeyFWTLBRNWNRJVRY-UHFFFAOYSA-N
XLogP-2.52
TPSA172.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.72
LogP ≤ 5-2.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxoethyl]amino]propyl]carbamate
CID 163895962
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]ethyl]carbamate
CID 166846114
tert-butyl N-[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 108864477
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
CID 155275245
tert-butyl N-[3-[[2-[3-[3-aminopropyl-[3-[[2-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetyl]amino]propyl]amino]propylamino]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
CID 102435232
2-[methyl-[2-[[2-[methyl-[2-[methyl-[2-[[2-[methyl-[2-[2-[[2-[methyl-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoylamino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87758191
tert-butyl N-[3-[(2-chloroacetyl)amino]propyl]carbamate
CID 15830736
tert-butyl N-[3-(3-sulfanylpropanoylamino)propyl]carbamate
CID 141218784
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate
CID 90445538

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate (CID 171850506) is tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate is CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate?
The InChIKey is FWTLBRNWNRJVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N8O8/c1-26(2,3)42-25(41)28-12-11-27-19(35)13-30(6)21(37)15-32(8)23(39)17-34(10)24(40)18-33(9)22(38)16-31(7)20(36)14-29(4)5/h11-18H2,1-10H3,(H,27,35)(H,28,41).
What are the key properties of tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate has a molecular weight of 600.72 g/mol, XLogP of -2.52, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[[2-[[2-[[2-[[2-[[2-(dimethylamino)acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 171850506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).