tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate

C20H41N7O5 — CID 21030199

IUPACtert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
SMILESCC(C)NC(=O)NCC(C)NC(=O)NCC(C)NC(=O)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H41N7O5/c1-12(2)24-16(28)21-9-13(3)25-17(29)22-10-14(4)26-18(30)23-11-15(5)27-19(31)32-20(6,7)8/h12-15H,9-11H2,1-8H3,(H,27,31)(H2,21,24,28)(H2,22,25,29)(H2,23,26,30)
InChIKeyOYFKBWMLSIJKFM-UHFFFAOYSA-N
MW459.59 g/mol
LogP0.98
Rot. Bonds10

About tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate

tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate (PubChem CID 21030199) has the molecular formula C20H41N7O5 and a molecular weight of 459.59 g/mol. Its IUPAC name is tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
PubChem CID21030199
Molecular FormulaC20H41N7O5
Molecular Weight459.59 g/mol
Exact Mass459.32
IUPAC Nametert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate
SMILESCC(C)NC(=O)NCC(C)NC(=O)NCC(C)NC(=O)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H41N7O5/c1-12(2)24-16(28)21-9-13(3)25-17(29)22-10-14(4)26-18(30)23-11-15(5)27-19(31)32-20(6,7)8/h12-15H,9-11H2,1-8H3,(H,27,31)(H2,21,24,28)(H2,22,25,29)(H2,23,26,30)
InChIKeyOYFKBWMLSIJKFM-UHFFFAOYSA-N
XLogP0.98
TPSA161.72 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 50.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
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tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
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tert-butyl N-[1-(4-aminobutoxycarbonylamino)propan-2-yl]carbamate
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tert-butyl N-[(2R)-3,4-dideuterio-4-hydroxybutan-2-yl]carbamate
CID 58618391
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
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tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[(1R)-3-methyl-1-(propan-2-ylcarbamoylamino)butyl]carbamate
CID 139190271

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate (CID 21030199) is tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate is CC(C)NC(=O)NCC(C)NC(=O)NCC(C)NC(=O)NCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate?
The InChIKey is OYFKBWMLSIJKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N7O5/c1-12(2)24-16(28)21-9-13(3)25-17(29)22-10-14(4)26-18(30)23-11-15(5)27-19(31)32-20(6,7)8/h12-15H,9-11H2,1-8H3,(H,27,31)(H2,21,24,28)(H2,22,25,29)(H2,23,26,30).
What are the key properties of tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate has a molecular weight of 459.59 g/mol, XLogP of 0.98, 10 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-[1-(propan-2-ylcarbamoylamino)propan-2-ylcarbamoylamino]propan-2-ylcarbamoylamino]propan-2-yl]carbamate is sourced from PubChem (CID 21030199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).