[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate

C23H21NO6 — CID 19181553

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C23H21NO6/c1-27-18-11-7-17(8-12-18)24-22(25)15-4-9-19(10-5-15)30-23(26)16-6-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25)
InChIKeyWNEFHDONOFJZNN-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.18
Rot. Bonds7

About [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate

[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate (PubChem CID 19181553) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
PubChem CID19181553
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(NC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C23H21NO6/c1-27-18-11-7-17(8-12-18)24-22(25)15-4-9-19(10-5-15)30-23(26)16-6-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25)
InChIKeyWNEFHDONOFJZNN-UHFFFAOYSA-N
XLogP4.18
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.18
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-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
[4-[(4-methylphenyl)carbamoyl]phenyl] 3,4,5-trimethoxybenzoate
CID 1193343
[2-methoxy-4-[[4-[3-methoxy-4-(2,4,5-trimethoxybenzoyl)oxybenzoyl]oxyphenyl]carbamoyl]phenyl] 2,4,6-trimethoxybenzoate
CID 59722337
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate (CID 19181553) is [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate is COc1ccc(NC(=O)c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate?
The InChIKey is WNEFHDONOFJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-27-18-11-7-17(8-12-18)24-22(25)15-4-9-19(10-5-15)30-23(26)16-6-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate has a molecular weight of 407.42 g/mol, XLogP of 4.18, 7 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] 3,4-dimethoxybenzoate is sourced from PubChem (CID 19181553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).