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

C20H23NO5 — CID 110294566

IUPACN-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(O)CCc3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C20H23NO5/c1-24-15-6-4-5-14(9-15)19(22)21-12-20(23)8-7-13-10-17(25-2)18(26-3)11-16(13)20/h4-6,9-11,23H,7-8,12H2,1-3H3,(H,21,22)
InChIKeyQNAGYXQFBPXTQR-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.28
Rot. Bonds6

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

N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide (PubChem CID 110294566) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide
PubChem CID110294566
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2(O)CCc3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C20H23NO5/c1-24-15-6-4-5-14(9-15)19(22)21-12-20(23)8-7-13-10-17(25-2)18(26-3)11-16(13)20/h4-6,9-11,23H,7-8,12H2,1-3H3,(H,21,22)
InChIKeyQNAGYXQFBPXTQR-UHFFFAOYSA-N
XLogP2.28
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294558
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
4-fluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294564
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methoxybenzamide
CID 110370967
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
CID 122150789
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3,5-dimethoxybenzamide
CID 71803567
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide (CID 110294566) is N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC2(O)CCc3cc(OC)c(OC)cc32)c1.
What is the InChIKey of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide?
The InChIKey is QNAGYXQFBPXTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-15-6-4-5-14(9-15)19(22)21-12-20(23)8-7-13-10-17(25-2)18(26-3)11-16(13)20/h4-6,9-11,23H,7-8,12H2,1-3H3,(H,21,22).
What are the key properties of N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide?
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 110294566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).