N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide

C19H21NO4 — CID 110294558

IUPACN-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
SMILESCOc1cc2c(cc1OC)C(O)(CNC(=O)c1ccccc1)CC2
InChIInChI=1S/C19H21NO4/c1-23-16-10-14-8-9-19(22,15(14)11-17(16)24-2)12-20-18(21)13-6-4-3-5-7-13/h3-7,10-11,22H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyWKFGSVXMCWTQPK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.27
Rot. Bonds5

About N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide

N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide (PubChem CID 110294558) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
PubChem CID110294558
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
SMILESCOc1cc2c(cc1OC)C(O)(CNC(=O)c1ccccc1)CC2
InChIInChI=1S/C19H21NO4/c1-23-16-10-14-8-9-19(22,15(14)11-17(16)24-2)12-20-18(21)13-6-4-3-5-7-13/h3-7,10-11,22H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyWKFGSVXMCWTQPK-UHFFFAOYSA-N
XLogP2.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide
CID 110294566
4-fluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294564
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide
CID 110311245
3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294598
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-2-methylbenzenesulfonamide
CID 110294640
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol
CID 82388999
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The IUPAC name of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide (CID 110294558) is N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide is COc1cc2c(cc1OC)C(O)(CNC(=O)c1ccccc1)CC2.
What is the InChIKey of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The InChIKey is WKFGSVXMCWTQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-16-10-14-8-9-19(22,15(14)11-17(16)24-2)12-20-18(21)13-6-4-3-5-7-13/h3-7,10-11,22H,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide?
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide is sourced from PubChem (CID 110294558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).