N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide

C29H31NO5 — CID 67215986

IUPACN-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide
SMILESCOc1cccc(CC(O)(CNC(=O)c2ccc3c(c2)C(=O)OC3)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C29H31NO5/c1-28(2,23-9-5-4-6-10-23)18-29(33,16-20-8-7-11-24(14-20)34-3)19-30-26(31)21-12-13-22-17-35-27(32)25(22)15-21/h4-15,33H,16-19H2,1-3H3,(H,30,31)
InChIKeyFQHWHYPIJJFZQR-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.44
Rot. Bonds9

About N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide

N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide (PubChem CID 67215986) has the molecular formula C29H31NO5 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide
PubChem CID67215986
Molecular FormulaC29H31NO5
Molecular Weight473.57 g/mol
Exact Mass473.22
IUPAC NameN-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide
SMILESCOc1cccc(CC(O)(CNC(=O)c2ccc3c(c2)C(=O)OC3)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C29H31NO5/c1-28(2,23-9-5-4-6-10-23)18-29(33,16-20-8-7-11-24(14-20)34-3)19-30-26(31)21-12-13-22-17-35-27(32)25(22)15-21/h4-15,33H,16-19H2,1-3H3,(H,30,31)
InChIKeyFQHWHYPIJJFZQR-UHFFFAOYSA-N
XLogP4.44
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide with MolForge

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Related Compounds

5-[[2-hydroxy-2-[(3-hydroxyphenyl)methyl]-4-methyl-4-phenylpentyl]amino]-3H-2-benzofuran-1-one
CID 69043914
2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-4-phenylhept-6-enamide
CID 142265007
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
CID 46400629
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
CID 90522960
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085675
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide (CID 67215986) is N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide is COc1cccc(CC(O)(CNC(=O)c2ccc3c(c2)C(=O)OC3)CC(C)(C)c2ccccc2)c1.
What is the InChIKey of N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide?
The InChIKey is FQHWHYPIJJFZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO5/c1-28(2,23-9-5-4-6-10-23)18-29(33,16-20-8-7-11-24(14-20)34-3)19-30-26(31)21-12-13-22-17-35-27(32)25(22)15-21/h4-15,33H,16-19H2,1-3H3,(H,30,31).
What are the key properties of N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide?
N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[(3-methoxyphenyl)methyl]-4-methyl-4-phenylpentyl]-3-oxo-1H-2-benzofuran-5-carboxamide is sourced from PubChem (CID 67215986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).