(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide

C17H21NO3 — CID 24605010

IUPAC(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)NCCC(C)C)oc12
InChIInChI=1S/C17H21NO3/c1-12(2)9-10-18-16(19)8-7-14-11-13-5-4-6-15(20-3)17(13)21-14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)/b8-7+
InChIKeyVDRAIKSPKOWPKL-BQYQJAHWSA-N
MW287.36 g/mol
LogP3.62
Rot. Bonds6

About (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide

(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide (PubChem CID 24605010) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide
PubChem CID24605010
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1cccc2cc(/C=C/C(=O)NCCC(C)C)oc12
InChIInChI=1S/C17H21NO3/c1-12(2)9-10-18-16(19)8-7-14-11-13-5-4-6-15(20-3)17(13)21-14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)/b8-7+
InChIKeyVDRAIKSPKOWPKL-BQYQJAHWSA-N
XLogP3.62
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]but-2-enoate
CID 166316992
(E)-N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24593806
(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 24592521
4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide
CID 17453511
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 24595962
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 2677238
[2-(2-acetylanilino)-2-oxoethyl] (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 42042662
2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]oxyacetamide
CID 112672661
(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24604937
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 84558392

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide (CID 24605010) is (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide is COc1cccc2cc(/C=C/C(=O)NCCC(C)C)oc12.
What is the InChIKey of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide?
The InChIKey is VDRAIKSPKOWPKL-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)9-10-18-16(19)8-7-14-11-13-5-4-6-15(20-3)17(13)21-14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)/b8-7+.
What are the key properties of (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide?
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide has a molecular weight of 287.36 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide is sourced from PubChem (CID 24605010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).