[4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate

C24H23NO5 — CID 91183300

IUPAC[4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate
SMILESCOc1ccc(CNC(=O)c2cccc(Oc3ccc(OC(C)=O)c(C)c3)c2)cc1
InChIInChI=1S/C24H23NO5/c1-16-13-22(11-12-23(16)29-17(2)26)30-21-6-4-5-19(14-21)24(27)25-15-18-7-9-20(28-3)10-8-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyUSLOBPDKKDHTIH-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.65
Rot. Bonds7

About [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate

[4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate (PubChem CID 91183300) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate.

Molecular Properties

Compound Name[4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate
PubChem CID91183300
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate
SMILESCOc1ccc(CNC(=O)c2cccc(Oc3ccc(OC(C)=O)c(C)c3)c2)cc1
InChIInChI=1S/C24H23NO5/c1-16-13-22(11-12-23(16)29-17(2)26)30-21-6-4-5-19(14-21)24(27)25-15-18-7-9-20(28-3)10-8-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyUSLOBPDKKDHTIH-UHFFFAOYSA-N
XLogP4.65
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928173
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
[4-[4-[3-[4-(4-methoxy-3-methylphenyl)phenoxy]phenoxy]phenyl]-2-methylphenyl] acetate
CID 126759741
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
carbon dioxide;1-methoxy-4-methylbenzene;3-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 144783368

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate?
The IUPAC name of [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate (CID 91183300) is [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate.
What is the SMILES notation for [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate?
The canonical SMILES for [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate is COc1ccc(CNC(=O)c2cccc(Oc3ccc(OC(C)=O)c(C)c3)c2)cc1.
What is the InChIKey of [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate?
The InChIKey is USLOBPDKKDHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-16-13-22(11-12-23(16)29-17(2)26)30-21-6-4-5-19(14-21)24(27)25-15-18-7-9-20(28-3)10-8-18/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate?
[4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate has a molecular weight of 405.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate is sourced from PubChem (CID 91183300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).