2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide

C24H25NO4 — CID 52571877

IUPAC2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)c(OC)c1OC
InChIInChI=1S/C24H25NO4/c1-25(16-17-10-12-19(13-11-17)18-8-6-5-7-9-18)24(26)20-14-15-21(27-2)23(29-4)22(20)28-3/h5-15H,16H2,1-4H3
InChIKeyUKYATGRQUKGNGT-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.65
Rot. Bonds7

About 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide

2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide (PubChem CID 52571877) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
PubChem CID52571877
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)c(OC)c1OC
InChIInChI=1S/C24H25NO4/c1-25(16-17-10-12-19(13-11-17)18-8-6-5-7-9-18)24(26)20-14-15-21(27-2)23(29-4)22(20)28-3/h5-15H,16H2,1-4H3
InChIKeyUKYATGRQUKGNGT-UHFFFAOYSA-N
XLogP4.65
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60580019
2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
N-[2-(4-fluorophenyl)ethyl]-2,3,4-trimethoxy-N-methylbenzamide
CID 60571717
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N,2-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113258
2-ethoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113269
N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide
CID 134004869
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide (CID 52571877) is 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide is COc1ccc(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide?
The InChIKey is UKYATGRQUKGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-25(16-17-10-12-19(13-11-17)18-8-6-5-7-9-18)24(26)20-14-15-21(27-2)23(29-4)22(20)28-3/h5-15H,16H2,1-4H3.
What are the key properties of 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide?
2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-methyl-N-[(4-phenylphenyl)methyl]benzamide is sourced from PubChem (CID 52571877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).