N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide

C25H21NO2 — CID 162651969

IUPACN-benzyl-4-phenylmethoxynaphthalene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(OCc2ccccc2)c2ccccc2c1
InChIInChI=1S/C25H21NO2/c27-25(26-17-19-9-3-1-4-10-19)22-15-21-13-7-8-14-23(21)24(16-22)28-18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,26,27)
InChIKeyHYKUBDZSVBQKGX-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.35
Rot. Bonds6

About N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide

N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide (PubChem CID 162651969) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-phenylmethoxynaphthalene-2-carboxamide
PubChem CID162651969
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC NameN-benzyl-4-phenylmethoxynaphthalene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(OCc2ccccc2)c2ccccc2c1
InChIInChI=1S/C25H21NO2/c27-25(26-17-19-9-3-1-4-10-19)22-15-21-13-7-8-14-23(21)24(16-22)28-18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,26,27)
InChIKeyHYKUBDZSVBQKGX-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide?
The IUPAC name of N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide (CID 162651969) is N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide is O=C(NCc1ccccc1)c1cc(OCc2ccccc2)c2ccccc2c1.
What is the InChIKey of N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide?
The InChIKey is HYKUBDZSVBQKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c27-25(26-17-19-9-3-1-4-10-19)22-15-21-13-7-8-14-23(21)24(16-22)28-18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,26,27).
What are the key properties of N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide?
N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-phenylmethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 162651969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).