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

C26H26N2O3 — CID 9149456

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)N[C@H](CN1CCOCC1)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)/t23-/m1/s1
InChIKeyRHQOOUBHYQEMIC-HSZRJFAPSA-N
MW414.51 g/mol
LogP4.32
Rot. Bonds6

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

2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (PubChem CID 9149456) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
PubChem CID9149456
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)N[C@H](CN1CCOCC1)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)/t23-/m1/s1
InChIKeyRHQOOUBHYQEMIC-HSZRJFAPSA-N
XLogP4.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149455
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-benzo[e][1]benzofuran-1-yl-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928316
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
2-(3-methoxyphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18166755
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-2-(4-phenylphenoxy)acetamide
CID 9149042
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144751
7-amino-N-(2-morpholin-4-yl-1-phenylethyl)heptanamide
CID 119835990

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide (CID 9149456) is 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is O=C(Cc1coc2ccc3ccccc3c12)N[C@H](CN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
The InChIKey is RHQOOUBHYQEMIC-HSZRJFAPSA-N. 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)/t23-/m1/s1.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9149456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).