N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide

C39H47NO5 — CID 134270879

IUPACN-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide
SMILESCCC(C)(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)CC(C)(CC)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C39H47NO5/c1-8-37(3,27-38(4,9-2)40-36(41)29-15-21-33(42-5)22-16-29)28-45-39(30-13-11-10-12-14-30,31-17-23-34(43-6)24-18-31)32-19-25-35(44-7)26-20-32/h10-26H,8-9,27-28H2,1-7H3,(H,40,41)
InChIKeyAUJQMHFPDHFXHX-UHFFFAOYSA-N
MW609.81 g/mol
LogP8.43
Rot. Bonds15

About N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide

N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide (PubChem CID 134270879) has the molecular formula C39H47NO5 and a molecular weight of 609.81 g/mol. Its IUPAC name is N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide
PubChem CID134270879
Molecular FormulaC39H47NO5
Molecular Weight609.81 g/mol
Exact Mass609.35
IUPAC NameN-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide
SMILESCCC(C)(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)CC(C)(CC)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C39H47NO5/c1-8-37(3,27-38(4,9-2)40-36(41)29-15-21-33(42-5)22-16-29)28-45-39(30-13-11-10-12-14-30,31-17-23-34(43-6)24-18-31)32-19-25-35(44-7)26-20-32/h10-26H,8-9,27-28H2,1-7H3,(H,40,41)
InChIKeyAUJQMHFPDHFXHX-UHFFFAOYSA-N
XLogP8.43
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.81
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
[(E)-4-[bis(4-methoxyphenyl)-phenylmethoxy]but-2-enyl] benzoate
CID 102509769
methyl (2S)-2-(hydroxymethyl)-2-methyl-3-trityloxypropanoate
CID 124849930
methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
CID 124849278
[2-acetyl-2-(hydroxymethyl)-3-oxobutyl] 2,2-dimethylpropanoate;[2-acetyl-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-oxobutyl] 2,2-dimethylpropanoate;3,3-bis(hydroxymethyl)pentane-2,4-dione;3-(hydroxymethyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]pentane-2,4-dione
CID 159087065
diethyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-2-(2,2-dimethylpropanoyloxy)propanedioate
CID 66672416
1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-oxocyclopropane-1-carboxylic acid
CID 91050449

Frequently Asked Questions

What is the IUPAC name of N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide (CID 134270879) is N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide is CCC(C)(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)CC(C)(CC)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide?
The InChIKey is AUJQMHFPDHFXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47NO5/c1-8-37(3,27-38(4,9-2)40-36(41)29-15-21-33(42-5)22-16-29)28-45-39(30-13-11-10-12-14-30,31-17-23-34(43-6)24-18-31)32-19-25-35(44-7)26-20-32/h10-26H,8-9,27-28H2,1-7H3,(H,40,41).
What are the key properties of N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide?
N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide has a molecular weight of 609.81 g/mol, XLogP of 8.43, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 134270879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).