3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide

C14H23N3O3S — CID 97217221

IUPAC3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCOCCC(=O)N(C[C@H]1CN(C)CCO1)c1nccs1
InChIInChI=1S/C14H23N3O3S/c1-3-19-7-4-13(18)17(14-15-5-9-21-14)11-12-10-16(2)6-8-20-12/h5,9,12H,3-4,6-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyUDWNVQWGSCJDMS-GFCCVEGCSA-N
MW313.42 g/mol
LogP1.23
Rot. Bonds7

About 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide

3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 97217221) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID97217221
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCOCCC(=O)N(C[C@H]1CN(C)CCO1)c1nccs1
InChIInChI=1S/C14H23N3O3S/c1-3-19-7-4-13(18)17(14-15-5-9-21-14)11-12-10-16(2)6-8-20-12/h5,9,12H,3-4,6-8,10-11H2,1-2H3/t12-/m1/s1
InChIKeyUDWNVQWGSCJDMS-GFCCVEGCSA-N
XLogP1.23
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
CID 71929003
2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
CID 97217264
N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373711
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 97062168
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 154749160
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 97072251
2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
CID 97217269
N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79171502
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-phenoxybutanamide
CID 110741577
1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125436994
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 129335888
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 129478448

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide (CID 97217221) is 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide is CCOCCC(=O)N(C[C@H]1CN(C)CCO1)c1nccs1.
What is the InChIKey of 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UDWNVQWGSCJDMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-19-7-4-13(18)17(14-15-5-9-21-14)11-12-10-16(2)6-8-20-12/h5,9,12H,3-4,6-8,10-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide?
3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 313.42 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 97217221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).