N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide

C36H33NO2 — CID 42710801

IUPACN-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide
SMILESCCc1ccc(C(=O)N(Cc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H33NO2/c1-2-28-18-22-33(23-19-28)36(38)37(35(31-14-8-4-9-15-31)32-16-10-5-11-17-32)26-29-20-24-34(25-21-29)39-27-30-12-6-3-7-13-30/h3-25,35H,2,26-27H2,1H3
InChIKeyKQJKPCRBOZSVRO-UHFFFAOYSA-N
MW511.67 g/mol
LogP8.26
Rot. Bonds10

About N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide

N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 42710801) has the molecular formula C36H33NO2 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide
PubChem CID42710801
Molecular FormulaC36H33NO2
Molecular Weight511.67 g/mol
Exact Mass511.25
IUPAC NameN-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide
SMILESCCc1ccc(C(=O)N(Cc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H33NO2/c1-2-28-18-22-33(23-19-28)36(38)37(35(31-14-8-4-9-15-31)32-16-10-5-11-17-32)26-29-20-24-34(25-21-29)39-27-30-12-6-3-7-13-30/h3-25,35H,2,26-27H2,1H3
InChIKeyKQJKPCRBOZSVRO-UHFFFAOYSA-N
XLogP8.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
N-benzhydryl-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42709331
N-(1-phenylethyl)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42657111
N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
CID 42703438
4-phenylmethoxybenzoic acid
CID 68896574
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161
N-benzhydryl-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42709511
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
4-phenylmethoxy-N-propylbenzamide
CID 4958389
ethyl 3-[[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912851

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide (CID 42710801) is N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide is CCc1ccc(C(=O)N(Cc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is KQJKPCRBOZSVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33NO2/c1-2-28-18-22-33(23-19-28)36(38)37(35(31-14-8-4-9-15-31)32-16-10-5-11-17-32)26-29-20-24-34(25-21-29)39-27-30-12-6-3-7-13-30/h3-25,35H,2,26-27H2,1H3.
What are the key properties of N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 511.67 g/mol, XLogP of 8.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42710801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).