(4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone

C13H24N2O3 — CID 118688735

IUPAC(4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone
SMILESCC(C)(C)N1CCOCC1C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)15-6-9-18-10-11(15)12(16)14-4-7-17-8-5-14/h11H,4-10H2,1-3H3
InChIKeyRXYMVQMPCYREGG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.34
Rot. Bonds1

About (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone

(4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone (PubChem CID 118688735) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone
PubChem CID118688735
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone
SMILESCC(C)(C)N1CCOCC1C(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)15-6-9-18-10-11(15)12(16)14-4-7-17-8-5-14/h11H,4-10H2,1-3H3
InChIKeyRXYMVQMPCYREGG-UHFFFAOYSA-N
XLogP0.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611
ethyl (4S)-4-(morpholine-4-carbonyl)-1,3-oxazolidine-3-carboxylate
CID 11032564
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107
3-(4-tert-butylmorpholin-3-yl)propanoic acid
CID 117009398
4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(morpholine-4-carbonyl)piperazine-1-carboxylic acid
CID 90964695
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
CID 97181537
(3S)-N-[2-(4-bromophenyl)-2-oxoethyl]-4-tert-butylmorpholine-3-carboxamide
CID 90902460
3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 115426376
tert-butyl (2S,4R)-4-hydroxy-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 685563
1-[4-ethyl-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 24733168
(1-tert-butylpiperidin-2-yl)-piperazin-1-ylmethanone
CID 118688738

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone (CID 118688735) is (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone is CC(C)(C)N1CCOCC1C(=O)N1CCOCC1.
What is the InChIKey of (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is RXYMVQMPCYREGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)15-6-9-18-10-11(15)12(16)14-4-7-17-8-5-14/h11H,4-10H2,1-3H3.
What are the key properties of (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone?
(4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 256.35 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylmorpholin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 118688735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).