N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide

C27H26N2O4 — CID 92501051

IUPACN-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
SMILESCOc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C27H26N2O4/c1-31-22-13-7-6-12-21(22)25(29-15-17-32-18-16-29)26-24(20-11-5-8-14-23(20)33-26)28-27(30)19-9-3-2-4-10-19/h2-14,25H,15-18H2,1H3,(H,28,30)/t25-/m1/s1
InChIKeyBTRIUIKXSCDTDY-RUZDIDTESA-N
MW442.52 g/mol
LogP5.12
Rot. Bonds6

About N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide

N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide (PubChem CID 92501051) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
PubChem CID92501051
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
SMILESCOc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C27H26N2O4/c1-31-22-13-7-6-12-21(22)25(29-15-17-32-18-16-29)26-24(20-11-5-8-14-23(20)33-26)28-27(30)19-9-3-2-4-10-19/h2-14,25H,15-18H2,1H3,(H,28,30)/t25-/m1/s1
InChIKeyBTRIUIKXSCDTDY-RUZDIDTESA-N
XLogP5.12
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92765199
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500977
N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 46270093
N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 92500957
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501068
N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270053
N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 1416603
N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899135
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899146

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide (CID 92501051) is N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide is COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is BTRIUIKXSCDTDY-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N2O4/c1-31-22-13-7-6-12-21(22)25(29-15-17-32-18-16-29)26-24(20-11-5-8-14-23(20)33-26)28-27(30)19-9-3-2-4-10-19/h2-14,25H,15-18H2,1H3,(H,28,30)/t25-/m1/s1.
What are the key properties of N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide?
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 92501051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).