[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate

C24H23NO4 — CID 53265852

IUPAC[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H23NO4/c1-16-4-10-20(11-5-16)25-23(26)19-8-14-22(15-9-19)29-24(27)18(3)28-21-12-6-17(2)7-13-21/h4-15,18H,1-3H3,(H,25,26)
InChIKeyWYGKDQSRISBBKU-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.93
Rot. Bonds6

About [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate

[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate (PubChem CID 53265852) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
PubChem CID53265852
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H23NO4/c1-16-4-10-20(11-5-16)25-23(26)19-8-14-22(15-9-19)29-24(27)18(3)28-21-12-6-17(2)7-13-21/h4-15,18H,1-3H3,(H,25,26)
InChIKeyWYGKDQSRISBBKU-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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

propan-2-yl 2-[4-[(4-methylphenyl)carbamoyl]phenoxy]propanoate
CID 4252995
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(3-ethylphenoxy)propanoate
CID 53267249
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266760
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(3,5-dimethylphenoxy)propanoate
CID 53266246
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
methyl 2-[4-[(4-chlorophenyl)carbamoyl]phenoxy]propanoate
CID 3663936
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
CID 55383634
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(3-methylphenoxy)propanoate
CID 53265910
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266767

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate?
The IUPAC name of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate (CID 53265852) is [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate.
What is the SMILES notation for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate?
The canonical SMILES for [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate is Cc1ccc(NC(=O)c2ccc(OC(=O)C(C)Oc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate?
The InChIKey is WYGKDQSRISBBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-4-10-20(11-5-16)25-23(26)19-8-14-22(15-9-19)29-24(27)18(3)28-21-12-6-17(2)7-13-21/h4-15,18H,1-3H3,(H,25,26).
What are the key properties of [4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate?
[4-[(4-methylphenyl)carbamoyl]phenyl] 2-(4-methylphenoxy)propanoate has a molecular weight of 389.45 g/mol, XLogP of 4.93, 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-(4-methylphenoxy)propanoate is sourced from PubChem (CID 53265852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).