3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

C26H29NO5 — CID 55709577

IUPAC3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(OCc3cccc(C)c3)c2)cc(OC)c1OC
InChIInChI=1S/C26H29NO5/c1-17-8-6-9-19(12-17)16-32-22-11-7-10-20(13-22)26(28)27-18(2)21-14-23(29-3)25(31-5)24(15-21)30-4/h6-15,18H,16H2,1-5H3,(H,27,28)
InChIKeyRUIVCTZOFPZRJD-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.09
Rot. Bonds9

About 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 55709577) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID55709577
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(C)NC(=O)c2cccc(OCc3cccc(C)c3)c2)cc(OC)c1OC
InChIInChI=1S/C26H29NO5/c1-17-8-6-9-19(12-17)16-32-22-11-7-10-20(13-22)26(28)27-18(2)21-14-23(29-3)25(31-5)24(15-21)30-4/h6-15,18H,16H2,1-5H3,(H,27,28)
InChIKeyRUIVCTZOFPZRJD-UHFFFAOYSA-N
XLogP5.09
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3-[(3-methylphenyl)methoxy]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 134037268
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
3,4,5-trimethoxy-N-[(2S)-1-(3-methylphenoxy)butan-2-yl]benzamide
CID 96564662
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
CID 100568849
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-[(3-methylphenyl)methoxy]benzamide
CID 52554971
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46450144
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (CID 55709577) is 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(C(C)NC(=O)c2cccc(OCc3cccc(C)c3)c2)cc(OC)c1OC.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is RUIVCTZOFPZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-17-8-6-9-19(12-17)16-32-22-11-7-10-20(13-22)26(28)27-18(2)21-14-23(29-3)25(31-5)24(15-21)30-4/h6-15,18H,16H2,1-5H3,(H,27,28).
What are the key properties of 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 435.52 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55709577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).