N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide

C35H31NO4 — CID 122498346

IUPACN-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
SMILESCc1cccc(NC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C35H31NO4/c1-26-12-11-19-31(20-26)36-35(37)30-21-32(38-23-27-13-5-2-6-14-27)34(40-25-29-17-9-4-10-18-29)33(22-30)39-24-28-15-7-3-8-16-28/h2-22H,23-25H2,1H3,(H,36,37)
InChIKeyGCKWOPMYANREOL-UHFFFAOYSA-N
MW529.64 g/mol
LogP7.98
Rot. Bonds11

About N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide

N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide (PubChem CID 122498346) has the molecular formula C35H31NO4 and a molecular weight of 529.64 g/mol. Its IUPAC name is N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
PubChem CID122498346
Molecular FormulaC35H31NO4
Molecular Weight529.64 g/mol
Exact Mass529.23
IUPAC NameN-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
SMILESCc1cccc(NC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C35H31NO4/c1-26-12-11-19-31(20-26)36-35(37)30-21-32(38-23-27-13-5-2-6-14-27)34(40-25-29-17-9-4-10-18-29)33(22-30)39-24-28-15-7-3-8-16-28/h2-22H,23-25H2,1H3,(H,36,37)
InChIKeyGCKWOPMYANREOL-UHFFFAOYSA-N
XLogP7.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3901187
N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 3558686
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27446104
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
N-(2-fluoro-5-methylphenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9455251

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide?
The IUPAC name of N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide (CID 122498346) is N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide?
The canonical SMILES for N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide is Cc1cccc(NC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide?
The InChIKey is GCKWOPMYANREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31NO4/c1-26-12-11-19-31(20-26)36-35(37)30-21-32(38-23-27-13-5-2-6-14-27)34(40-25-29-17-9-4-10-18-29)33(22-30)39-24-28-15-7-3-8-16-28/h2-22H,23-25H2,1H3,(H,36,37).
What are the key properties of N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide?
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide has a molecular weight of 529.64 g/mol, XLogP of 7.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide is sourced from PubChem (CID 122498346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).