(E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine

C17H21NO3 — CID 142029441

IUPAC(E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine
SMILESC=C(C)O/N=C(/c1cc2cccc(OC)c2o1)C(C)CC
InChIInChI=1S/C17H21NO3/c1-6-12(4)16(18-21-11(2)3)15-10-13-8-7-9-14(19-5)17(13)20-15/h7-10,12H,2,6H2,1,3-5H3/b18-16+
InChIKeyLCVHEKJLLOMEBN-FBMGVBCBSA-N
MW287.36 g/mol
LogP4.74
Rot. Bonds6

About (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine

(E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine (PubChem CID 142029441) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine
PubChem CID142029441
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine
SMILESC=C(C)O/N=C(/c1cc2cccc(OC)c2o1)C(C)CC
InChIInChI=1S/C17H21NO3/c1-6-12(4)16(18-21-11(2)3)15-10-13-8-7-9-14(19-5)17(13)20-15/h7-10,12H,2,6H2,1,3-5H3/b18-16+
InChIKeyLCVHEKJLLOMEBN-FBMGVBCBSA-N
XLogP4.74
TPSA43.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine with MolForge

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Related Compounds

1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 1489109
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175722
1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
CID 21258113
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
N-ethyl-N-(2-hydroxyethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 110888631
N,N-diethyl-N'-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]-N'-(naphthalen-2-ylmethyl)butane-1,4-diamine
CID 89247148
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029

Frequently Asked Questions

What is the IUPAC name of (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine?
The IUPAC name of (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine (CID 142029441) is (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine.
What is the SMILES notation for (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine?
The canonical SMILES for (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine is C=C(C)O/N=C(/c1cc2cccc(OC)c2o1)C(C)CC.
What is the InChIKey of (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine?
The InChIKey is LCVHEKJLLOMEBN-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H21NO3/c1-6-12(4)16(18-21-11(2)3)15-10-13-8-7-9-14(19-5)17(13)20-15/h7-10,12H,2,6H2,1,3-5H3/b18-16+.
What are the key properties of (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine?
(E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine has a molecular weight of 287.36 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine is sourced from PubChem (CID 142029441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).