4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide

C23H26N2O3 — CID 22733985

IUPAC4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC2CCC2)c2cc(C(=O)NC(C)c3ccccc3)oc12
InChIInChI=1S/C23H26N2O3/c1-15(16-7-4-3-5-8-16)25-23(26)21-13-19-17(14-24-18-9-6-10-18)11-12-20(27-2)22(19)28-21/h3-5,7-8,11-13,15,18,24H,6,9-10,14H2,1-2H3,(H,25,26)
InChIKeyNMWCXMHRRMERAQ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.57
Rot. Bonds7

About 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide

4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 22733985) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID22733985
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC2CCC2)c2cc(C(=O)NC(C)c3ccccc3)oc12
InChIInChI=1S/C23H26N2O3/c1-15(16-7-4-3-5-8-16)25-23(26)21-13-19-17(14-24-18-9-6-10-18)11-12-20(27-2)22(19)28-21/h3-5,7-8,11-13,15,18,24H,6,9-10,14H2,1-2H3,(H,25,26)
InChIKeyNMWCXMHRRMERAQ-UHFFFAOYSA-N
XLogP4.57
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-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

Related Compounds

7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734310
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 22734198
N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 22734076
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734211
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
4-(butylaminomethyl)-7-methoxy-N-phenyl-1-benzofuran-2-carboxamide
CID 22734145
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734314
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzo[e][1]benzofuran-2-carboxamide
CID 94011908

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide (CID 22733985) is 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide is COc1ccc(CNC2CCC2)c2cc(C(=O)NC(C)c3ccccc3)oc12.
What is the InChIKey of 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is NMWCXMHRRMERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(16-7-4-3-5-8-16)25-23(26)21-13-19-17(14-24-18-9-6-10-18)11-12-20(27-2)22(19)28-21/h3-5,7-8,11-13,15,18,24H,6,9-10,14H2,1-2H3,(H,25,26).
What are the key properties of 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide?
4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22733985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).