2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide

C18H32N4O2 — CID 124855766

IUPAC2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide
SMILESCC(C)[C@@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)c1ccnn1C
InChIInChI=1S/C18H32N4O2/c1-13(2)14(15-8-9-20-21(15)7)10-19-16(23)22-11-17(3,4)24-18(5,6)12-22/h8-9,13-14H,10-12H2,1-7H3,(H,19,23)/t14-/m1/s1
InChIKeyZNXDJEVVFQECDX-CQSZACIVSA-N
MW336.48 g/mol
LogP2.76
Rot. Bonds4

About 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide

2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide (PubChem CID 124855766) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide
PubChem CID124855766
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide
SMILESCC(C)[C@@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)c1ccnn1C
InChIInChI=1S/C18H32N4O2/c1-13(2)14(15-8-9-20-21(15)7)10-19-16(23)22-11-17(3,4)24-18(5,6)12-22/h8-9,13-14H,10-12H2,1-7H3,(H,19,23)/t14-/m1/s1
InChIKeyZNXDJEVVFQECDX-CQSZACIVSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide
CID 119045435
N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.5]decane-2-carboxamide
CID 124726994
3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124721385
1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea
CID 124727220
3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 102744912
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124729672
2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 102744984
3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124725974
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
1-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 124847631
1-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 119045396

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide (CID 124855766) is 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide is CC(C)[C@@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)c1ccnn1C.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide?
The InChIKey is ZNXDJEVVFQECDX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13(2)14(15-8-9-20-21(15)7)10-19-16(23)22-11-17(3,4)24-18(5,6)12-22/h8-9,13-14H,10-12H2,1-7H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide?
2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide is sourced from PubChem (CID 124855766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).