N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide

C14H23N5O3 — CID 95321575

IUPACN-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C14H23N5O3/c1-12(20)15-4-5-16-14(21)11-18-7-8-22-13(9-18)10-19-6-2-3-17-19/h2-3,6,13H,4-5,7-11H2,1H3,(H,15,20)(H,16,21)/t13-/m1/s1
InChIKeyWZYYWPKVUAXPJL-CYBMUJFWSA-N
MW309.37 g/mol
LogP-1.16
Rot. Bonds7

About N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide

N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide (PubChem CID 95321575) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
PubChem CID95321575
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC NameN-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C14H23N5O3/c1-12(20)15-4-5-16-14(21)11-18-7-8-22-13(9-18)10-19-6-2-3-17-19/h2-3,6,13H,4-5,7-11H2,1H3,(H,15,20)(H,16,21)/t13-/m1/s1
InChIKeyWZYYWPKVUAXPJL-CYBMUJFWSA-N
XLogP-1.16
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95277610
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 95279241
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95276948
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95279234
2-[2-(aminomethyl)morpholin-4-yl]-N-propylacetamide
CID 61336633
N-propyl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495298
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119881008
2-[2-(aminomethyl)morpholin-4-yl]-N-butylacetamide
CID 61485522
(2R)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 119880996
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86895509
N-ethyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95279235
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 95283759

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide (CID 95321575) is N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide is CC(=O)NCCNC(=O)CN1CCO[C@@H](Cn2cccn2)C1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
The InChIKey is WZYYWPKVUAXPJL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-12(20)15-4-5-16-14(21)11-18-7-8-22-13(9-18)10-19-6-2-3-17-19/h2-3,6,13H,4-5,7-11H2,1H3,(H,15,20)(H,16,21)/t13-/m1/s1.
What are the key properties of N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide?
N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of -1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95321575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).