2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide

C26H27N2O3+ — CID 9149455

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)N[C@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C26H26N2O3/c29-25(16-21-18-31-24-11-10-19-6-4-5-9-22(19)26(21)24)27-23(20-7-2-1-3-8-20)17-28-12-14-30-15-13-28/h1-11,18,23H,12-17H2,(H,27,29)/p+1/t23-/m1/s1
InChIKeyRHQOOUBHYQEMIC-HSZRJFAPSA-O
MW415.51 g/mol
LogP2.90
Rot. Bonds6

About 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (PubChem CID 9149455) has the molecular formula C26H27N2O3+ and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
PubChem CID9149455
Molecular FormulaC26H27N2O3+
Molecular Weight415.51 g/mol
Exact Mass415.20
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)N[C@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C26H26N2O3/c29-25(16-21-18-31-24-11-10-19-6-4-5-9-22(19)26(21)24)27-23(20-7-2-1-3-8-20)17-28-12-14-30-15-13-28/h1-11,18,23H,12-17H2,(H,27,29)/p+1/t23-/m1/s1
InChIKeyRHQOOUBHYQEMIC-HSZRJFAPSA-O
XLogP2.90
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149456
2-benzo[e][1]benzofuran-1-yl-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928316
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149901
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]quinoline-2-carboxamide
CID 9148328
N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9149121
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700530
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 2417416
2-benzo[e][1]benzofuran-1-yl-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 18112615
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (CID 9149455) is 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is O=C(Cc1coc2ccc3ccccc3c12)N[C@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The InChIKey is RHQOOUBHYQEMIC-HSZRJFAPSA-O. The full InChI is InChI=1S/C26H26N2O3/c29-25(16-21-18-31-24-11-10-19-6-4-5-9-22(19)26(21)24)27-23(20-7-2-1-3-8-20)17-28-12-14-30-15-13-28/h1-11,18,23H,12-17H2,(H,27,29)/p+1/t23-/m1/s1.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide has a molecular weight of 415.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9149455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).