N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide

C26H23NO4 — CID 71733407

IUPACN-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
SMILESCOc1cccc(C(NC(=O)c2ccccc2)c2c(O)ccc3ccccc23)c1OC
InChIInChI=1S/C26H23NO4/c1-30-22-14-8-13-20(25(22)31-2)24(27-26(29)18-10-4-3-5-11-18)23-19-12-7-6-9-17(19)15-16-21(23)28/h3-16,24,28H,1-2H3,(H,27,29)
InChIKeyQEIHZPKTBYKULG-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.08
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide

N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide (PubChem CID 71733407) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
PubChem CID71733407
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC NameN-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
SMILESCOc1cccc(C(NC(=O)c2ccccc2)c2c(O)ccc3ccccc23)c1OC
InChIInChI=1S/C26H23NO4/c1-30-22-14-8-13-20(25(22)31-2)24(27-26(29)18-10-4-3-5-11-18)23-19-12-7-6-9-17(19)15-16-21(23)28/h3-16,24,28H,1-2H3,(H,27,29)
InChIKeyQEIHZPKTBYKULG-UHFFFAOYSA-N
XLogP5.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 122396722
N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 3129256
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2281447
N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2897217
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-[(R)-(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]-3-methoxybenzamide
CID 1335808
diethyl 2-[benzamido(naphthalen-1-yl)methyl]propanedioate
CID 102169461
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3,5-dinitrobenzamide
CID 19165231

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide (CID 71733407) is N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide is COc1cccc(C(NC(=O)c2ccccc2)c2c(O)ccc3ccccc23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The InChIKey is QEIHZPKTBYKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-30-22-14-8-13-20(25(22)31-2)24(27-26(29)18-10-4-3-5-11-18)23-19-12-7-6-9-17(19)15-16-21(23)28/h3-16,24,28H,1-2H3,(H,27,29).
What are the key properties of N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide has a molecular weight of 413.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide is sourced from PubChem (CID 71733407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).