5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide

C24H28N2O3 — CID 75463887

IUPAC5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC3(NC(C)c4ccccc4)CCOCC3)cc2c1
InChIInChI=1S/C24H28N2O3/c1-17-8-9-21-20(14-17)15-22(29-21)23(27)25-16-24(10-12-28-13-11-24)26-18(2)19-6-4-3-5-7-19/h3-9,14-15,18,26H,10-13,16H2,1-2H3,(H,25,27)
InChIKeyHKYLRVFLPPNXNI-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.37
Rot. Bonds6

About 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide

5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 75463887) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID75463887
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC3(NC(C)c4ccccc4)CCOCC3)cc2c1
InChIInChI=1S/C24H28N2O3/c1-17-8-9-21-20(14-17)15-22(29-21)23(27)25-16-24(10-12-28-13-11-24)26-18(2)19-6-4-3-5-7-19/h3-9,14-15,18,26H,10-13,16H2,1-2H3,(H,25,27)
InChIKeyHKYLRVFLPPNXNI-UHFFFAOYSA-N
XLogP4.37
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 103954201
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540063
N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540062
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 96539984
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-2H-triazole-4-carboxamide
CID 96539972
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75463886
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
CID 120646718
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 75463887) is 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCC3(NC(C)c4ccccc4)CCOCC3)cc2c1.
What is the InChIKey of 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HKYLRVFLPPNXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17-8-9-21-20(14-17)15-22(29-21)23(27)25-16-24(10-12-28-13-11-24)26-18(2)19-6-4-3-5-7-19/h3-9,14-15,18,26H,10-13,16H2,1-2H3,(H,25,27).
What are the key properties of 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide?
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 75463887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).