N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide

C36H32N2O4 — CID 101339913

IUPACN-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1OCc1ccc(COc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C36H32N2O4/c39-35(37-23-27-11-3-1-4-12-27)31-15-7-9-17-33(31)41-25-29-19-21-30(22-20-29)26-42-34-18-10-8-16-32(34)36(40)38-24-28-13-5-2-6-14-28/h1-22H,23-26H2,(H,37,39)(H,38,40)
InChIKeyIVILWDKBTQPEFR-UHFFFAOYSA-N
MW556.66 g/mol
LogP6.70
Rot. Bonds12

About N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide

N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide (PubChem CID 101339913) has the molecular formula C36H32N2O4 and a molecular weight of 556.66 g/mol. Its IUPAC name is N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
PubChem CID101339913
Molecular FormulaC36H32N2O4
Molecular Weight556.66 g/mol
Exact Mass556.24
IUPAC NameN-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1OCc1ccc(COc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C36H32N2O4/c39-35(37-23-27-11-3-1-4-12-27)31-15-7-9-17-33(31)41-25-29-19-21-30(22-20-29)26-42-34-18-10-8-16-32(34)36(40)38-24-28-13-5-2-6-14-28/h1-22H,23-26H2,(H,37,39)(H,38,40)
InChIKeyIVILWDKBTQPEFR-UHFFFAOYSA-N
XLogP6.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 155947041
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide?
The IUPAC name of N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide (CID 101339913) is N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide?
The canonical SMILES for N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide is O=C(NCc1ccccc1)c1ccccc1OCc1ccc(COc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide?
The InChIKey is IVILWDKBTQPEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O4/c39-35(37-23-27-11-3-1-4-12-27)31-15-7-9-17-33(31)41-25-29-19-21-30(22-20-29)26-42-34-18-10-8-16-32(34)36(40)38-24-28-13-5-2-6-14-28/h1-22H,23-26H2,(H,37,39)(H,38,40).
What are the key properties of N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide?
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide has a molecular weight of 556.66 g/mol, XLogP of 6.70, 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]phenyl]methoxy]benzamide is sourced from PubChem (CID 101339913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).