tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate

C17H32N4O6 — CID 6420873

IUPACtert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N4O6/c1-16(2,3)26-14(24)20-10-12(22)18-8-7-9-19-13(23)11-21-15(25)27-17(4,5)6/h7-11H2,1-6H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
InChIKeyFEEGJHDJTLSNJB-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.66
Rot. Bonds8

About tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate (PubChem CID 6420873) has the molecular formula C17H32N4O6 and a molecular weight of 388.47 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate
PubChem CID6420873
Molecular FormulaC17H32N4O6
Molecular Weight388.47 g/mol
Exact Mass388.23
IUPAC Nametert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N4O6/c1-16(2,3)26-14(24)20-10-12(22)18-8-7-9-19-13(23)11-21-15(25)27-17(4,5)6/h7-11H2,1-6H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25)
InChIKeyFEEGJHDJTLSNJB-UHFFFAOYSA-N
XLogP0.66
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate (CID 6420873) is tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate?
The InChIKey is FEEGJHDJTLSNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O6/c1-16(2,3)26-14(24)20-10-12(22)18-8-7-9-19-13(23)11-21-15(25)27-17(4,5)6/h7-11H2,1-6H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25).
What are the key properties of tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate has a molecular weight of 388.47 g/mol, XLogP of 0.66, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 6420873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).