[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate

C24H23NO4 — CID 19221101

IUPAC[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H23NO4/c1-17-3-10-20(11-4-17)25-24(27)19-8-14-22(15-9-19)29-23(26)16-7-18-5-12-21(28-2)13-6-18/h3-6,8-15H,7,16H2,1-2H3,(H,25,27)
InChIKeyFAGPPJZMLSYSMV-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.79
Rot. Bonds7

About [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate

[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate (PubChem CID 19221101) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
PubChem CID19221101
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H23NO4/c1-17-3-10-20(11-4-17)25-24(27)19-8-14-22(15-9-19)29-23(26)16-7-18-5-12-21(28-2)13-6-18/h3-6,8-15H,7,16H2,1-2H3,(H,25,27)
InChIKeyFAGPPJZMLSYSMV-UHFFFAOYSA-N
XLogP4.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-methoxyphenoxy)butanoate
CID 19176404
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-methoxyphenyl)propanoate
CID 34756076
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(4-methoxyphenoxy)acetate
CID 19179597
[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
CID 19221621
methyl 3-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]propanoate;hydrochloride
CID 22362448
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
CID 17359995
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate (CID 19221101) is [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate?
The InChIKey is FAGPPJZMLSYSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17-3-10-20(11-4-17)25-24(27)19-8-14-22(15-9-19)29-23(26)16-7-18-5-12-21(28-2)13-6-18/h3-6,8-15H,7,16H2,1-2H3,(H,25,27).
What are the key properties of [4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate?
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate has a molecular weight of 389.45 g/mol, XLogP of 4.79, 7 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] 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 19221101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).