3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide

C24H25NO4 — CID 92647148

IUPAC3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C24H25NO4/c1-16-10-8-9-13-19(16)22(17-11-6-5-7-12-17)25-24(26)18-14-20(27-2)23(29-4)21(15-18)28-3/h5-15,22H,1-4H3,(H,25,26)/t22-/m0/s1
InChIKeyLCBNESQWNIZYCF-QFIPXVFZSA-N
MW391.47 g/mol
LogP4.54
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide

3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide (PubChem CID 92647148) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
PubChem CID92647148
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C24H25NO4/c1-16-10-8-9-13-19(16)22(17-11-6-5-7-12-17)25-24(26)18-14-20(27-2)23(29-4)21(15-18)28-3/h5-15,22H,1-4H3,(H,25,26)/t22-/m0/s1
InChIKeyLCBNESQWNIZYCF-QFIPXVFZSA-N
XLogP4.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide
CID 985979
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122
N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3,4,5-trimethoxybenzamide
CID 3969876
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885736

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide (CID 92647148) is 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide is COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is LCBNESQWNIZYCF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-10-8-9-13-19(16)22(17-11-6-5-7-12-17)25-24(26)18-14-20(27-2)23(29-4)21(15-18)28-3/h5-15,22H,1-4H3,(H,25,26)/t22-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide?
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 92647148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).