tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate

C16H30N4O5 — CID 101075921

IUPACtert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate
SMILESCNC(=O)CCNC(=O)C(C)(C)NC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N4O5/c1-15(2,3)25-14(24)19-10-8-12(22)20-16(4,5)13(23)18-9-7-11(21)17-6/h7-10H2,1-6H3,(H,17,21)(H,18,23)(H,19,24)(H,20,22)
InChIKeyQIBNWROYIXQZLS-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.05
Rot. Bonds8

About tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate (PubChem CID 101075921) has the molecular formula C16H30N4O5 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate
PubChem CID101075921
Molecular FormulaC16H30N4O5
Molecular Weight358.44 g/mol
Exact Mass358.22
IUPAC Nametert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate
SMILESCNC(=O)CCNC(=O)C(C)(C)NC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N4O5/c1-15(2,3)25-14(24)19-10-8-12(22)20-16(4,5)13(23)18-9-7-11(21)17-6/h7-10H2,1-6H3,(H,17,21)(H,18,23)(H,19,24)(H,20,22)
InChIKeyQIBNWROYIXQZLS-UHFFFAOYSA-N
XLogP0.05
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate (CID 101075921) is tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate is CNC(=O)CCNC(=O)C(C)(C)NC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate?
The InChIKey is QIBNWROYIXQZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O5/c1-15(2,3)25-14(24)19-10-8-12(22)20-16(4,5)13(23)18-9-7-11(21)17-6/h7-10H2,1-6H3,(H,17,21)(H,18,23)(H,19,24)(H,20,22).
What are the key properties of tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-methyl-1-[[3-(methylamino)-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 101075921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).