4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C23H31N3O5 — CID 2125799

IUPAC4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C23H31N3O5/c1-6-30-19-13-18(26-8-10-29-11-9-26)20(31-7-2)12-17(19)25-23(28)22-14(3)21(16(5)27)15(4)24-22/h12-13,24H,6-11H2,1-5H3,(H,25,28)
InChIKeyRHNNPZCQVPSKCS-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.72
Rot. Bonds8

About 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 2125799) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID2125799
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C23H31N3O5/c1-6-30-19-13-18(26-8-10-29-11-9-26)20(31-7-2)12-17(19)25-23(28)22-14(3)21(16(5)27)15(4)24-22/h12-13,24H,6-11H2,1-5H3,(H,25,28)
InChIKeyRHNNPZCQVPSKCS-UHFFFAOYSA-N
XLogP3.72
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 2125799) is 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is RHNNPZCQVPSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-6-30-19-13-18(26-8-10-29-11-9-26)20(31-7-2)12-17(19)25-23(28)22-14(3)21(16(5)27)15(4)24-22/h12-13,24H,6-11H2,1-5H3,(H,25,28).
What are the key properties of 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2125799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).