2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone

C15H29N3O3 — CID 100843897

IUPAC2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone
SMILESCC[C@@H]1CN(C(=O)CN2CCO[C@@H](CN(C)C)C2)CCO1
InChIInChI=1S/C15H29N3O3/c1-4-13-11-18(6-8-20-13)15(19)12-17-5-7-21-14(10-17)9-16(2)3/h13-14H,4-12H2,1-3H3/t13-,14+/m1/s1
InChIKeyDLWSULYFSWTPMF-KGLIPLIRSA-N
MW299.41 g/mol
LogP-0.11
Rot. Bonds5

About 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone

2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone (PubChem CID 100843897) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone
PubChem CID100843897
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone
SMILESCC[C@@H]1CN(C(=O)CN2CCO[C@@H](CN(C)C)C2)CCO1
InChIInChI=1S/C15H29N3O3/c1-4-13-11-18(6-8-20-13)15(19)12-17-5-7-21-14(10-17)9-16(2)3/h13-14H,4-12H2,1-3H3/t13-,14+/m1/s1
InChIKeyDLWSULYFSWTPMF-KGLIPLIRSA-N
XLogP-0.11
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

1-(2-ethylmorpholin-4-yl)-2-piperazin-1-ylethanone
CID 43563037
2-ethylmorpholine-4-carboxylic acid
CID 121455686
1-(2-ethylmorpholin-4-yl)butan-2-one
CID 62040570
1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 114218586
1-(2-ethylmorpholin-4-yl)-3-methylbutan-2-one
CID 79396089
2-(2-ethylmorpholin-4-yl)acetohydrazide
CID 63573112
2-(2-ethyl-1,4-oxazepan-4-yl)acetic acid
CID 130485509
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
1-(azetidin-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79832857
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95345333
1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone
CID 114395313
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone (CID 100843897) is 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone is CC[C@@H]1CN(C(=O)CN2CCO[C@@H](CN(C)C)C2)CCO1.
What is the InChIKey of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone?
The InChIKey is DLWSULYFSWTPMF-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-13-11-18(6-8-20-13)15(19)12-17-5-7-21-14(10-17)9-16(2)3/h13-14H,4-12H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone?
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone has a molecular weight of 299.41 g/mol, XLogP of -0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2R)-2-ethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 100843897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).