N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide

C16H19N3O2 — CID 110688626

IUPACN-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C16H19N3O2/c20-16(13-18-7-3-4-8-18)17-14-5-1-2-6-15(14)19-9-11-21-12-10-19/h1-8H,9-13H2,(H,17,20)
InChIKeyIILYLXHVFLSXJO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.96
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide

N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 110688626) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
PubChem CID110688626
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C16H19N3O2/c20-16(13-18-7-3-4-8-18)17-14-5-1-2-6-15(14)19-9-11-21-12-10-19/h1-8H,9-13H2,(H,17,20)
InChIKeyIILYLXHVFLSXJO-UHFFFAOYSA-N
XLogP1.96
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60650852
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3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
N-(2-morpholin-4-ylphenyl)-2-(2-oxoazepan-1-yl)acetamide
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CID 110686392
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide (CID 110688626) is N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is IILYLXHVFLSXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(13-18-7-3-4-8-18)17-14-5-1-2-6-15(14)19-9-11-21-12-10-19/h1-8H,9-13H2,(H,17,20).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide?
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 285.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 110688626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).