[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate

C23H21NO6 — CID 19179597

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H21NO6/c1-27-18-9-5-17(6-10-18)24-23(26)16-3-7-21(8-4-16)30-22(25)15-29-20-13-11-19(28-2)12-14-20/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyLCQRELOYJIDOBZ-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.94
Rot. Bonds8

About [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate

[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 19179597) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
PubChem CID19179597
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H21NO6/c1-27-18-9-5-17(6-10-18)24-23(26)16-3-7-21(8-4-16)30-22(25)15-29-20-13-11-19(28-2)12-14-20/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyLCQRELOYJIDOBZ-UHFFFAOYSA-N
XLogP3.94
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2-bromophenoxy)acetate
CID 19180167
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)acetate
CID 19180132
4-methoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097607
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-methoxyphenoxy)butanoate
CID 19176404
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1193357
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate (CID 19179597) is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is LCQRELOYJIDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-27-18-9-5-17(6-10-18)24-23(26)16-3-7-21(8-4-16)30-22(25)15-29-20-13-11-19(28-2)12-14-20/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 407.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 19179597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).