(3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide

C14H24N4O3 — CID 164633842

IUPAC(3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide
SMILESCOCCN(Cc1ccnn1C)C(=O)[C@@H]1COCCN1C
InChIInChI=1S/C14H24N4O3/c1-16-6-9-21-11-13(16)14(19)18(7-8-20-3)10-12-4-5-15-17(12)2/h4-5,13H,6-11H2,1-3H3/t13-/m0/s1
InChIKeyXQTIXLWZOIYPAN-ZDUSSCGKSA-N
MW296.37 g/mol
LogP-0.27
Rot. Bonds6

About (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide

(3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide (PubChem CID 164633842) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide
PubChem CID164633842
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name(3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide
SMILESCOCCN(Cc1ccnn1C)C(=O)[C@@H]1COCCN1C
InChIInChI=1S/C14H24N4O3/c1-16-6-9-21-11-13(16)14(19)18(7-8-20-3)10-12-4-5-15-17(12)2/h4-5,13H,6-11H2,1-3H3/t13-/m0/s1
InChIKeyXQTIXLWZOIYPAN-ZDUSSCGKSA-N
XLogP-0.27
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide (CID 164633842) is (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide is COCCN(Cc1ccnn1C)C(=O)[C@@H]1COCCN1C.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide?
The InChIKey is XQTIXLWZOIYPAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-16-6-9-21-11-13(16)14(19)18(7-8-20-3)10-12-4-5-15-17(12)2/h4-5,13H,6-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide?
(3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 164633842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).