[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate

C24H23NO4 — CID 1193357

IUPAC[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C24H23NO4/c1-16-4-9-20(10-5-16)25-24(27)19-7-12-21(13-8-19)29-23(26)15-28-22-11-6-17(2)18(3)14-22/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyYHCFUAPDMQGSJE-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.85
Rot. Bonds6

About [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate (PubChem CID 1193357) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
PubChem CID1193357
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C24H23NO4/c1-16-4-9-20(10-5-16)25-24(27)19-7-12-21(13-8-19)29-23(26)15-28-22-11-6-17(2)18(3)14-22/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyYHCFUAPDMQGSJE-UHFFFAOYSA-N
XLogP4.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-bromophenoxy)acetate
CID 1193360
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 19180225
(3,4-dimethylphenyl) 2-[4-(4-methylphenyl)phenoxy]acetate
CID 19180769
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(4-ethoxyphenoxy)acetate
CID 19180385
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-chloro-3,5-dimethylphenoxy)butanoate
CID 19206146
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 19180152
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 18871077
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2-prop-2-enylphenoxy)acetate
CID 1407145

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate?
The IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate (CID 1193357) is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate.
What is the SMILES notation for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate?
The canonical SMILES for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate is Cc1ccc(NC(=O)c2ccc(OC(=O)COc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate?
The InChIKey is YHCFUAPDMQGSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-4-9-20(10-5-16)25-24(27)19-7-12-21(13-8-19)29-23(26)15-28-22-11-6-17(2)18(3)14-22/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate?
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate has a molecular weight of 389.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3,4-dimethylphenoxy)acetate is sourced from PubChem (CID 1193357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).