tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate

C16H29N3O5 — CID 71883192

IUPACtert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C16H29N3O5/c1-11(12(20)19-7-9-23-10-8-19)17-13(21)16(5,6)18-14(22)24-15(2,3)4/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)
InChIKeyKWLQFEKGTIEEBS-UHFFFAOYSA-N
MW343.42 g/mol
LogP0.65
Rot. Bonds4

About tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 71883192) has the molecular formula C16H29N3O5 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID71883192
Molecular FormulaC16H29N3O5
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Nametert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C16H29N3O5/c1-11(12(20)19-7-9-23-10-8-19)17-13(21)16(5,6)18-14(22)24-15(2,3)4/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)
InChIKeyKWLQFEKGTIEEBS-UHFFFAOYSA-N
XLogP0.65
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
CID 11402671
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
CID 2756819
1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate
CID 1501855
1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate
CID 2756818
1-tert-Butyl 3-methyl (3R)-piperazine-1,3-dicarboxylate
CID 6558432
1-tert-Butyl 2-methyl (2R)-piperazine-1,2-dicarboxylate
CID 7009916
(S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
CID 7016513
tert-Butyl (2-morpholino-2-oxoethyl)carbamate
CID 10538259
tert-Butyl 3-carbamoylmorpholine-4-carboxylate
CID 21098189
1-tert-Butyl 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 59817704
(S)-1-(tert-Butyl) 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 86690594
1-(tert-Butyl) 3-methyl (R)-5-oxopiperazine-1,3-dicarboxylate
CID 126509897

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate (CID 71883192) is tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is KWLQFEKGTIEEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5/c1-11(12(20)19-7-9-23-10-8-19)17-13(21)16(5,6)18-14(22)24-15(2,3)4/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22).
What are the key properties of tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 343.42 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 71883192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).