1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide

C17H29N3O3 — CID 5459650

IUPAC1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
SMILESCC(=O)N1CC=CC1(CC(C)C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H29N3O3/c1-14(2)13-17(5-4-7-20(17)15(3)21)16(22)18-6-8-19-9-11-23-12-10-19/h4-5,14H,6-13H2,1-3H3,(H,18,22)
InChIKeyCEYAFNIFYYAGHL-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.64
Rot. Bonds6

About 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide

1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide (PubChem CID 5459650) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
PubChem CID5459650
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
SMILESCC(=O)N1CC=CC1(CC(C)C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H29N3O3/c1-14(2)13-17(5-4-7-20(17)15(3)21)16(22)18-6-8-19-9-11-23-12-10-19/h4-5,14H,6-13H2,1-3H3,(H,18,22)
InChIKeyCEYAFNIFYYAGHL-UHFFFAOYSA-N
XLogP0.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The IUPAC name of 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide (CID 5459650) is 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide is CC(=O)N1CC=CC1(CC(C)C)C(=O)NCCN1CCOCC1.
What is the InChIKey of 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
The InChIKey is CEYAFNIFYYAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-14(2)13-17(5-4-7-20(17)15(3)21)16(22)18-6-8-19-9-11-23-12-10-19/h4-5,14H,6-13H2,1-3H3,(H,18,22).
What are the key properties of 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide?
1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).