3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide

C24H25NO5 — CID 91429970

IUPAC3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
SMILESCOc1ccc(C(OCC(O)C(N)=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25NO5/c1-28-20-12-8-18(9-13-20)24(17-6-4-3-5-7-17,30-16-22(26)23(25)27)19-10-14-21(29-2)15-11-19/h3-15,22,26H,16H2,1-2H3,(H2,25,27)
InChIKeyQFNDBYYFICIOCG-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.86
Rot. Bonds9

About 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide

3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide (PubChem CID 91429970) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
PubChem CID91429970
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
SMILESCOc1ccc(C(OCC(O)C(N)=O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25NO5/c1-28-20-12-8-18(9-13-20)24(17-6-4-3-5-7-17,30-16-22(26)23(25)27)19-10-14-21(29-2)15-11-19/h3-15,22,26H,16H2,1-2H3,(H2,25,27)
InChIKeyQFNDBYYFICIOCG-UHFFFAOYSA-N
XLogP2.86
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
ethyl 2-hydroxy-3-trityloxypropanoate
CID 139757366
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] octadecanoate
CID 11115011
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
[(E)-4-[bis(4-methoxyphenyl)-phenylmethoxy]but-2-enyl] benzoate
CID 102509769

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide?
The IUPAC name of 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide (CID 91429970) is 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide.
What is the SMILES notation for 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide?
The canonical SMILES for 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide is COc1ccc(C(OCC(O)C(N)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide?
The InChIKey is QFNDBYYFICIOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-28-20-12-8-18(9-13-20)24(17-6-4-3-5-7-17,30-16-22(26)23(25)27)19-10-14-21(29-2)15-11-19/h3-15,22,26H,16H2,1-2H3,(H2,25,27).
What are the key properties of 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide?
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide has a molecular weight of 407.47 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide is sourced from PubChem (CID 91429970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).