(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide

C17H30N4O2 — CID 99857636

IUPAC(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide
SMILESCC[C@@H](NC(=O)N1CCO[C@@](C)(CC)C1)c1c(C)nn(C)c1C
InChIInChI=1S/C17H30N4O2/c1-7-14(15-12(3)19-20(6)13(15)4)18-16(22)21-9-10-23-17(5,8-2)11-21/h14H,7-11H2,1-6H3,(H,18,22)/t14-,17+/m1/s1
InChIKeyUZUBHFXCFUKHSQ-PBHICJAKSA-N
MW322.45 g/mol
LogP2.70
Rot. Bonds4

About (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide

(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide (PubChem CID 99857636) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide
PubChem CID99857636
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide
SMILESCC[C@@H](NC(=O)N1CCO[C@@](C)(CC)C1)c1c(C)nn(C)c1C
InChIInChI=1S/C17H30N4O2/c1-7-14(15-12(3)19-20(6)13(15)4)18-16(22)21-9-10-23-17(5,8-2)11-21/h14H,7-11H2,1-6H3,(H,18,22)/t14-,17+/m1/s1
InChIKeyUZUBHFXCFUKHSQ-PBHICJAKSA-N
XLogP2.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 75399233
N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 118740635
N-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 118740637
N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 118740638
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
3-(3-Ethoxypropyl)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-YL)methyl]urea
CID 20964146
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71868463
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 71990267
N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)morpholine-4-carboxamide
CID 91819405
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 95333828
1-[(2R)-2-hydroxypropyl]-3-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]urea
CID 121524286
3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-[[(2S)-1,4-dioxan-2-yl]methyl]-1-methylurea
CID 125439197

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide (CID 99857636) is (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide is CC[C@@H](NC(=O)N1CCO[C@@](C)(CC)C1)c1c(C)nn(C)c1C.
What is the InChIKey of (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide?
The InChIKey is UZUBHFXCFUKHSQ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-7-14(15-12(3)19-20(6)13(15)4)18-16(22)21-9-10-23-17(5,8-2)11-21/h14H,7-11H2,1-6H3,(H,18,22)/t14-,17+/m1/s1.
What are the key properties of (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide?
(2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-methyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 99857636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).