N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide

C25H21NO3 — CID 2787112

IUPACN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C25H21NO3/c1-29-22-14-8-7-13-20(22)25(28)26-24(18-10-3-2-4-11-18)23-19-12-6-5-9-17(19)15-16-21(23)27/h2-16,24,27H,1H3,(H,26,28)
InChIKeyQEGFNJKRANLPDR-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.07
Rot. Bonds5

About N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide (PubChem CID 2787112) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
PubChem CID2787112
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C25H21NO3/c1-29-22-14-8-7-13-20(22)25(28)26-24(18-10-3-2-4-11-18)23-19-12-6-5-9-17(19)15-16-21(23)27/h2-16,24,27H,1H3,(H,26,28)
InChIKeyQEGFNJKRANLPDR-UHFFFAOYSA-N
XLogP5.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
CID 55451553
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 42954212
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide (CID 2787112) is N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide?
The InChIKey is QEGFNJKRANLPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-29-22-14-8-7-13-20(22)25(28)26-24(18-10-3-2-4-11-18)23-19-12-6-5-9-17(19)15-16-21(23)27/h2-16,24,27H,1H3,(H,26,28).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide?
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide has a molecular weight of 383.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide is sourced from PubChem (CID 2787112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).