(2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide

C16H29N5O2 — CID 99846425

IUPAC(2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)C[C@@H](C)O1
InChIInChI=1S/C16H29N5O2/c1-6-14-11-21(9-12(2)23-14)16(22)17-8-15(19(3)4)13-7-18-20(5)10-13/h7,10,12,14-15H,6,8-9,11H2,1-5H3,(H,17,22)/t12-,14-,15-/m1/s1
InChIKeyMZUBPBKZLOZVMX-BPLDGKMQSA-N
MW323.44 g/mol
LogP1.23
Rot. Bonds5

About (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide

(2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide (PubChem CID 99846425) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
PubChem CID99846425
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name(2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)C[C@@H](C)O1
InChIInChI=1S/C16H29N5O2/c1-6-14-11-21(9-12(2)23-14)16(22)17-8-15(19(3)4)13-7-18-20(5)10-13/h7,10,12,14-15H,6,8-9,11H2,1-5H3,(H,17,22)/t12-,14-,15-/m1/s1
InChIKeyMZUBPBKZLOZVMX-BPLDGKMQSA-N
XLogP1.23
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide with MolForge

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Related Compounds

4-(adamantane-1-carbonyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 86970486
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
CID 111455922
(2R,3R)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99831027
2-ethyl-6-methyl-N-(1-propan-2-ylpyrazol-4-yl)morpholine-4-carboxamide
CID 71864895
(4aS,8aR)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 100906866
4-(2-chlorobenzoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86970487
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102938421
1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea
CID 56792355
2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid
CID 102933894
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486703
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
N-tert-butyl-2-[[[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111797332

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide (CID 99846425) is (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide is CC[C@@H]1CN(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
The InChIKey is MZUBPBKZLOZVMX-BPLDGKMQSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-6-14-11-21(9-12(2)23-14)16(22)17-8-15(19(3)4)13-7-18-20(5)10-13/h7,10,12,14-15H,6,8-9,11H2,1-5H3,(H,17,22)/t12-,14-,15-/m1/s1.
What are the key properties of (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide?
(2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-ethyl-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99846425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).