[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone

C22H24N2O4 — CID 22734467

IUPAC[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNCc2ccccc2)c2cc(C(=O)N3CCOCC3)oc12
InChIInChI=1S/C22H24N2O4/c1-26-19-8-7-17(15-23-14-16-5-3-2-4-6-16)18-13-20(28-21(18)19)22(25)24-9-11-27-12-10-24/h2-8,13,23H,9-12,14-15H2,1H3
InChIKeyMSIIIMZERCNUKS-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.20
Rot. Bonds6

About [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone

[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone (PubChem CID 22734467) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
PubChem CID22734467
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNCc2ccccc2)c2cc(C(=O)N3CCOCC3)oc12
InChIInChI=1S/C22H24N2O4/c1-26-19-8-7-17(15-23-14-16-5-3-2-4-6-16)18-13-20(28-21(18)19)22(25)24-9-11-27-12-10-24/h2-8,13,23H,9-12,14-15H2,1H3
InChIKeyMSIIIMZERCNUKS-UHFFFAOYSA-N
XLogP3.20
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733888
N-benzyl-4-(ethylaminomethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 22734076
7-methoxy-N-phenyl-4-(propylaminomethyl)-1-benzofuran-2-carboxamide
CID 22734138
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
N-benzyl-4-[(cyclohexylamino)methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 22734198
(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 22733963
N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734314
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
4-[(cyclobutylamino)methyl]-7-methoxy-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 22733985

Frequently Asked Questions

What is the IUPAC name of [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone (CID 22734467) is [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone is COc1ccc(CNCc2ccccc2)c2cc(C(=O)N3CCOCC3)oc12.
What is the InChIKey of [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MSIIIMZERCNUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-19-8-7-17(15-23-14-16-5-3-2-4-6-16)18-13-20(28-21(18)19)22(25)24-9-11-27-12-10-24/h2-8,13,23H,9-12,14-15H2,1H3.
What are the key properties of [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
[4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone has a molecular weight of 380.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(benzylamino)methyl]-7-methoxy-1-benzofuran-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22734467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).