N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide

C29H25NO6 — CID 56677243

IUPACN-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(C(NC(=O)c2ccccc2)c2c(O)ccc3oc4ccccc4c23)cc(OC)c1OC
InChIInChI=1S/C29H25NO6/c1-33-23-15-18(16-24(34-2)28(23)35-3)27(30-29(32)17-9-5-4-6-10-17)26-20(31)13-14-22-25(26)19-11-7-8-12-21(19)36-22/h4-16,27,31H,1-3H3,(H,30,32)
InChIKeyLMXFQZPQBGBTLY-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.84
Rot. Bonds7

About N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide

N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 56677243) has the molecular formula C29H25NO6 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID56677243
Molecular FormulaC29H25NO6
Molecular Weight483.52 g/mol
Exact Mass483.17
IUPAC NameN-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(C(NC(=O)c2ccccc2)c2c(O)ccc3oc4ccccc4c23)cc(OC)c1OC
InChIInChI=1S/C29H25NO6/c1-33-23-15-18(16-24(34-2)28(23)35-3)27(30-29(32)17-9-5-4-6-10-17)26-20(31)13-14-22-25(26)19-11-7-8-12-21(19)36-22/h4-16,27,31H,1-3H3,(H,30,32)
InChIKeyLMXFQZPQBGBTLY-UHFFFAOYSA-N
XLogP5.84
TPSA90.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxydibenzofuran-1-yl)-phenylmethyl]acetamide
CID 56673905
N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide
CID 56666975
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
CID 134847437
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3,4,5-trimethoxybenzamide
CID 3969876
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(2S)-1-(dibenzofuran-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 8002470
N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide
CID 985979
1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 2731026
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 56677243) is N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(C(NC(=O)c2ccccc2)c2c(O)ccc3oc4ccccc4c23)cc(OC)c1OC.
What is the InChIKey of N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is LMXFQZPQBGBTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO6/c1-33-23-15-18(16-24(34-2)28(23)35-3)27(30-29(32)17-9-5-4-6-10-17)26-20(31)13-14-22-25(26)19-11-7-8-12-21(19)36-22/h4-16,27,31H,1-3H3,(H,30,32).
What are the key properties of N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide?
N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 483.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxydibenzofuran-1-yl)-(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 56677243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).