[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate

C24H23NO6 — CID 1193343

IUPAC[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO6/c1-15-5-9-18(10-6-15)25-23(26)16-7-11-19(12-8-16)31-24(27)17-13-20(28-2)22(30-4)21(14-17)29-3/h5-14H,1-4H3,(H,25,26)
InChIKeyGDEHWWCACMCHHL-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.49
Rot. Bonds7

About [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate

[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate (PubChem CID 1193343) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate
PubChem CID1193343
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO6/c1-15-5-9-18(10-6-15)25-23(26)16-7-11-19(12-8-16)31-24(27)17-13-20(28-2)22(30-4)21(14-17)29-3/h5-14H,1-4H3,(H,25,26)
InChIKeyGDEHWWCACMCHHL-UHFFFAOYSA-N
XLogP4.49
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.49
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-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
CID 19181553
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
[2-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126230149
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
CID 58506929
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate (CID 1193343) is [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate is COc1cc(C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate?
The InChIKey is GDEHWWCACMCHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-15-5-9-18(10-6-15)25-23(26)16-7-11-19(12-8-16)31-24(27)17-13-20(28-2)22(30-4)21(14-17)29-3/h5-14H,1-4H3,(H,25,26).
What are the key properties of [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate?
[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate has a molecular weight of 421.45 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 1193343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).