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

C23H23NO4 — CID 112789277

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(COc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H23NO4/c1-26-21-13-10-18(14-22(21)27-2)15-24-23(25)19-11-8-17(9-12-19)16-28-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,24,25)
InChIKeyVQKXERIVGYDMPB-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.21
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide (PubChem CID 112789277) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
PubChem CID112789277
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(COc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H23NO4/c1-26-21-13-10-18(14-22(21)27-2)15-24-23(25)19-11-8-17(9-12-19)16-28-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,24,25)
InChIKeyVQKXERIVGYDMPB-UHFFFAOYSA-N
XLogP4.21
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide (CID 112789277) is N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide is COc1ccc(CNC(=O)c2ccc(COc3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide?
The InChIKey is VQKXERIVGYDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-26-21-13-10-18(14-22(21)27-2)15-24-23(25)19-11-8-17(9-12-19)16-28-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,24,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 112789277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).