4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C26H24N2O3 — CID 26415206

IUPAC4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-18(19-7-3-2-4-8-19)28-26(30)20-11-13-22(14-12-20)27-16-15-23(29)25-17-21-9-5-6-10-24(21)31-25/h2-14,17-18,27H,15-16H2,1H3,(H,28,30)/t18-/m0/s1
InChIKeyHDUAEUKLUITUMK-SFHVURJKSA-N
MW412.49 g/mol
LogP5.61
Rot. Bonds8

About 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide

4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 26415206) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID26415206
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-18(19-7-3-2-4-8-19)28-26(30)20-11-13-22(14-12-20)27-16-15-23(29)25-17-21-9-5-6-10-24(21)31-25/h2-14,17-18,27H,15-16H2,1H3,(H,28,30)/t18-/m0/s1
InChIKeyHDUAEUKLUITUMK-SFHVURJKSA-N
XLogP5.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 47111565
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 26415206) is 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1)c1ccccc1.
What is the InChIKey of 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is HDUAEUKLUITUMK-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18(19-7-3-2-4-8-19)28-26(30)20-11-13-22(14-12-20)27-16-15-23(29)25-17-21-9-5-6-10-24(21)31-25/h2-14,17-18,27H,15-16H2,1H3,(H,28,30)/t18-/m0/s1.
What are the key properties of 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-benzofuran-2-yl)-3-oxopropyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 26415206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).