N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide

C24H25NO4 — CID 4853920

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C24H25NO4/c1-25(16-20-13-14-22(27-2)15-23(20)28-3)24(26)19-11-9-18(10-12-19)17-29-21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3
InChIKeyUQNXNNINSMBXOG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.55
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide (PubChem CID 4853920) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
PubChem CID4853920
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C24H25NO4/c1-25(16-20-13-14-22(27-2)15-23(20)28-3)24(26)19-11-9-18(10-12-19)17-29-21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3
InChIKeyUQNXNNINSMBXOG-UHFFFAOYSA-N
XLogP4.55
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide (CID 4853920) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide is COc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The InChIKey is UQNXNNINSMBXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-25(16-20-13-14-22(27-2)15-23(20)28-3)24(26)19-11-9-18(10-12-19)17-29-21-7-5-4-6-8-21/h4-15H,16-17H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 4853920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).