4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

C14H22N4O3 — CID 59656712

IUPAC4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCN2CCOCC2)n(C)c1
InChIInChI=1S/C14H22N4O3/c1-11(19)16-12-9-13(17(2)10-12)14(20)15-3-4-18-5-7-21-8-6-18/h9-10H,3-8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyAYROOZRKNWULKM-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.05
Rot. Bonds5

About 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 59656712) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID59656712
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCN2CCOCC2)n(C)c1
InChIInChI=1S/C14H22N4O3/c1-11(19)16-12-9-13(17(2)10-12)14(20)15-3-4-18-5-7-21-8-6-18/h9-10H,3-8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyAYROOZRKNWULKM-UHFFFAOYSA-N
XLogP0.05
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (CID 59656712) is 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is CC(=O)Nc1cc(C(=O)NCCN2CCOCC2)n(C)c1.
What is the InChIKey of 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is AYROOZRKNWULKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11(19)16-12-9-13(17(2)10-12)14(20)15-3-4-18-5-7-21-8-6-18/h9-10H,3-8H2,1-2H3,(H,15,20)(H,16,19).
What are the key properties of 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 59656712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).