ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine

C26H33NO2 — CID 142972180

IUPACethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine
SMILESC=C(/C=C/c1ccccc1)Nc1c(C(=C)C)oc2cc(OC)ccc12.CC.CC
InChIInChI=1S/C22H21NO2.2C2H6/c1-15(2)22-21(19-13-12-18(24-4)14-20(19)25-22)23-16(3)10-11-17-8-6-5-7-9-17;2*1-2/h5-14,23H,1,3H2,2,4H3;2*1-2H3/b11-10+;;
InChIKeyGCBNRFMCNHDABP-BGNBUWATSA-N
MW391.56 g/mol
LogP8.17
Rot. Bonds6

About ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine

ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine (PubChem CID 142972180) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine.

Molecular Properties

Compound Nameethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine
PubChem CID142972180
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Nameethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine
SMILESC=C(/C=C/c1ccccc1)Nc1c(C(=C)C)oc2cc(OC)ccc12.CC.CC
InChIInChI=1S/C22H21NO2.2C2H6/c1-15(2)22-21(19-13-12-18(24-4)14-20(19)25-22)23-16(3)10-11-17-8-6-5-7-9-17;2*1-2/h5-14,23H,1,3H2,2,4H3;2*1-2H3/b11-10+;;
InChIKeyGCBNRFMCNHDABP-BGNBUWATSA-N
XLogP8.17
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
CID 23111288
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide
CID 11818142
(E)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 1341670
N-(4-methoxyphenyl)-3-(3-phenylprop-2-enoylamino)-1-benzofuran-2-carboxamide
CID 7159740
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide
CID 23148999
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine?
The IUPAC name of ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine (CID 142972180) is ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine.
What is the SMILES notation for ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine?
The canonical SMILES for ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine is C=C(/C=C/c1ccccc1)Nc1c(C(=C)C)oc2cc(OC)ccc12.CC.CC.
What is the InChIKey of ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine?
The InChIKey is GCBNRFMCNHDABP-BGNBUWATSA-N. The full InChI is InChI=1S/C22H21NO2.2C2H6/c1-15(2)22-21(19-13-12-18(24-4)14-20(19)25-22)23-16(3)10-11-17-8-6-5-7-9-17;2*1-2/h5-14,23H,1,3H2,2,4H3;2*1-2H3/b11-10+;;.
What are the key properties of ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine?
ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine has a molecular weight of 391.56 g/mol, XLogP of 8.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]-2-prop-1-en-2-yl-1-benzofuran-3-amine is sourced from PubChem (CID 142972180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).