N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide

C40H34N2O4 — CID 101429178

IUPACN-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1OCc1ccc(COc2ccccc2C(=O)NCc2ccccc2)c2ccccc12
InChIInChI=1S/C40H34N2O4/c43-39(41-25-29-13-3-1-4-14-29)35-19-9-11-21-37(35)45-27-31-23-24-32(34-18-8-7-17-33(31)34)28-46-38-22-12-10-20-36(38)40(44)42-26-30-15-5-2-6-16-30/h1-24H,25-28H2,(H,41,43)(H,42,44)
InChIKeyOWPWUTUDBTXLRF-UHFFFAOYSA-N
MW606.72 g/mol
LogP7.86
Rot. Bonds12

About N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide

N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide (PubChem CID 101429178) has the molecular formula C40H34N2O4 and a molecular weight of 606.72 g/mol. Its IUPAC name is N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
PubChem CID101429178
Molecular FormulaC40H34N2O4
Molecular Weight606.72 g/mol
Exact Mass606.25
IUPAC NameN-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1OCc1ccc(COc2ccccc2C(=O)NCc2ccccc2)c2ccccc12
InChIInChI=1S/C40H34N2O4/c43-39(41-25-29-13-3-1-4-14-29)35-19-9-11-21-37(35)45-27-31-23-24-32(34-18-8-7-17-33(31)34)28-46-38-22-12-10-20-36(38)40(44)42-26-30-15-5-2-6-16-30/h1-24H,25-28H2,(H,41,43)(H,42,44)
InChIKeyOWPWUTUDBTXLRF-UHFFFAOYSA-N
XLogP7.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.72
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide
CID 7935492
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
N-benzyl-2-[(5-phenyl-1,2-oxazol-3-yl)methoxy]benzamide
CID 9354603
2-[(4-methylnaphthalen-1-yl)methoxy]benzoic acid
CID 46203274
N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 9354612

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide?
The IUPAC name of N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide (CID 101429178) is N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide?
The canonical SMILES for N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide is O=C(NCc1ccccc1)c1ccccc1OCc1ccc(COc2ccccc2C(=O)NCc2ccccc2)c2ccccc12.
What is the InChIKey of N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide?
The InChIKey is OWPWUTUDBTXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2O4/c43-39(41-25-29-13-3-1-4-14-29)35-19-9-11-21-37(35)45-27-31-23-24-32(34-18-8-7-17-33(31)34)28-46-38-22-12-10-20-36(38)40(44)42-26-30-15-5-2-6-16-30/h1-24H,25-28H2,(H,41,43)(H,42,44).
What are the key properties of N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide?
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide has a molecular weight of 606.72 g/mol, XLogP of 7.86, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide is sourced from PubChem (CID 101429178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).