4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide

C22H24N2O3 — CID 60594549

IUPAC4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C22H24N2O3/c1-3-4-8-20-18(17-7-5-6-9-19(17)27-20)14-24(2)22(26)16-12-10-15(11-13-16)21(23)25/h5-7,9-13H,3-4,8,14H2,1-2H3,(H2,23,25)
InChIKeyJFLBZNKJNWEEKJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.15
Rot. Bonds7

About 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide

4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 60594549) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID60594549
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C22H24N2O3/c1-3-4-8-20-18(17-7-5-6-9-19(17)27-20)14-24(2)22(26)16-12-10-15(11-13-16)21(23)25/h5-7,9-13H,3-4,8,14H2,1-2H3,(H2,23,25)
InChIKeyJFLBZNKJNWEEKJ-UHFFFAOYSA-N
XLogP4.15
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 55429671
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31441477
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31441418
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyloxane-4-carboxamide
CID 78808889
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 78808885
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 51202160
2-[[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]benzoyl]-methylamino]-3-phenylpropanoic acid
CID 11203600
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51111502
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
CID 134031153
4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
CID 23445648

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide (CID 60594549) is 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is JFLBZNKJNWEEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-4-8-20-18(17-7-5-6-9-19(17)27-20)14-24(2)22(26)16-12-10-15(11-13-16)21(23)25/h5-7,9-13H,3-4,8,14H2,1-2H3,(H2,23,25).
What are the key properties of 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide?
4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 60594549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).