N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide

C23H27N3O2 — CID 34193147

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3oc4ccccc4c3C)c(C)c2)CC1
InChIInChI=1S/C23H27N3O2/c1-4-25-11-13-26(14-12-25)18-9-10-20(16(2)15-18)24-23(27)22-17(3)19-7-5-6-8-21(19)28-22/h5-10,15H,4,11-14H2,1-3H3,(H,24,27)
InChIKeyWKPDJVNNZOTQCY-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.44
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 34193147) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID34193147
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3oc4ccccc4c3C)c(C)c2)CC1
InChIInChI=1S/C23H27N3O2/c1-4-25-11-13-26(14-12-25)18-9-10-20(16(2)15-18)24-23(27)22-17(3)19-7-5-6-8-21(19)28-22/h5-10,15H,4,11-14H2,1-3H3,(H,24,27)
InChIKeyWKPDJVNNZOTQCY-UHFFFAOYSA-N
XLogP4.44
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 34193147) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide is CCN1CCN(c2ccc(NC(=O)c3oc4ccccc4c3C)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is WKPDJVNNZOTQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-25-11-13-26(14-12-25)18-9-10-20(16(2)15-18)24-23(27)22-17(3)19-7-5-6-8-21(19)28-22/h5-10,15H,4,11-14H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 34193147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).