2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide

C15H23N3O3 — CID 21071886

IUPAC2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1[nH]c(C=O)c(C)c1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-11-13(12(2)17-14(11)10-19)9-15(20)16-3-4-18-5-7-21-8-6-18/h10,17H,3-9H2,1-2H3,(H,16,20)
InChIKeyAHUPIZTZFUJJDJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.43
Rot. Bonds6

About 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 21071886) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID21071886
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1[nH]c(C=O)c(C)c1CC(=O)NCCN1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-11-13(12(2)17-14(11)10-19)9-15(20)16-3-4-18-5-7-21-8-6-18/h10,17H,3-9H2,1-2H3,(H,16,20)
InChIKeyAHUPIZTZFUJJDJ-UHFFFAOYSA-N
XLogP0.43
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-formyl-4-methyl-2-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1H-pyrrole-3-carboxylate
CID 143553269
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110677326
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110770137
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6225544
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 21071886) is 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1[nH]c(C=O)c(C)c1CC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is AHUPIZTZFUJJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-13(12(2)17-14(11)10-19)9-15(20)16-3-4-18-5-7-21-8-6-18/h10,17H,3-9H2,1-2H3,(H,16,20).
What are the key properties of 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 21071886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).