N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide

C24H25NO4 — CID 26733446

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(COc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H25NO4/c1-27-22-13-10-18(16-23(22)28-2)14-15-25-24(26)20-11-8-19(9-12-20)17-29-21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H,25,26)
InChIKeyPQACUQDOBPCUPO-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.26
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide (PubChem CID 26733446) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
PubChem CID26733446
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(COc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H25NO4/c1-27-22-13-10-18(16-23(22)28-2)14-15-25-24(26)20-11-8-19(9-12-20)17-29-21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H,25,26)
InChIKeyPQACUQDOBPCUPO-UHFFFAOYSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111213306
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide (CID 26733446) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide is COc1ccc(CCNC(=O)c2ccc(COc3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide?
The InChIKey is PQACUQDOBPCUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-27-22-13-10-18(16-23(22)28-2)14-15-25-24(26)20-11-8-19(9-12-20)17-29-21-6-4-3-5-7-21/h3-13,16H,14-15,17H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 26733446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).