N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide

C24H28N2O3 — CID 22734198

IUPACN-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC2CCCCC2)c2cc(C(=O)NCc3ccccc3)oc12
InChIInChI=1S/C24H28N2O3/c1-28-21-13-12-18(16-25-19-10-6-3-7-11-19)20-14-22(29-23(20)21)24(27)26-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,19,25H,3,6-7,10-11,15-16H2,1H3,(H,26,27)
InChIKeyISZMFJVDJXMQAG-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.79
Rot. Bonds7

About N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide

N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 22734198) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID22734198
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc(CNC2CCCCC2)c2cc(C(=O)NCc3ccccc3)oc12
InChIInChI=1S/C24H28N2O3/c1-28-21-13-12-18(16-25-19-10-6-3-7-11-19)20-14-22(29-23(20)21)24(27)26-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,19,25H,3,6-7,10-11,15-16H2,1H3,(H,26,27)
InChIKeyISZMFJVDJXMQAG-UHFFFAOYSA-N
XLogP4.79
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 22734076
4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733985
N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734314
N-[(2,4-dimethoxy-3-methylphenyl)methyl]cyclohexanamine;oxalic acid
CID 2849724
7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733888
7-methoxy-N-(1-phenylethyl)-4-[(1-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734310
7-methoxy-N-phenyl-4-(propylaminomethyl)-1-benzofuran-2-carboxamide
CID 22734138
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661
[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 22734467
N-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158349
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 22734198) is N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1ccc(CNC2CCCCC2)c2cc(C(=O)NCc3ccccc3)oc12.
What is the InChIKey of N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ISZMFJVDJXMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-21-13-12-18(16-25-19-10-6-3-7-11-19)20-14-22(29-23(20)21)24(27)26-15-17-8-4-2-5-9-17/h2,4-5,8-9,12-14,19,25H,3,6-7,10-11,15-16H2,1H3,(H,26,27).
What are the key properties of N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22734198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).